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936727-05-8,MFCD16659051
Catalog No.:AA0036Q6

936727-05-8 | 3-(6-[[1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarbonyl]-amino]-3-methyl-pyridin-2-yl)-benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98%
in stock  
$6.00   $4.00
- +
5mg
98%
in stock  
$8.00   $6.00
- +
100mg
98%
in stock  
$32.00   $23.00
- +
250mg
98%
in stock  
$50.00   $35.00
- +
1g
98%
in stock  
$119.00   $83.00
- +
5g
98%
in stock  
$417.00   $292.00
- +
25g
98%
in stock  
$1,448.00   $1,014.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0036Q6
Chemical Name:
3-(6-[[1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarbonyl]-amino]-3-methyl-pyridin-2-yl)-benzoic acid
CAS Number:
936727-05-8
Molecular Formula:
C24H18F2N2O5
Molecular Weight:
452.4069
MDL Number:
MFCD16659051
SMILES:
O=C(C1(CC1)c1ccc2c(c1)OC(O2)(F)F)Nc1ccc(c(n1)c1cccc(c1)C(=O)O)C
Properties
Properties
 
BP:
653.013 °C at 760 mmHg  
Form:
Solid  
MP:
200-205ºC  
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
776  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.4  

Downstream Synthesis Route

[1]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2009/76142,2009,A2Locationinpatent:Page/Pagecolumn56

[2]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2009/73757,2009,A1Locationinpatent:Page/Pagecolumn25

[3]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2010/37066,2010,A2Locationinpatent:Page/Pagecolumn31

[4]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2014/71122,2014,A1Locationinpatent:Paragraph00311;00312

[5]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2015/73231,2015,A1Locationinpatent:Paragraph00326-00327

[6]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-US2016/324788,2016,A1Locationinpatent:Paragraph0379;0380

[7]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-TWI636051,2018,BLocationinpatent:Sheet81

[8]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2009/76142,2009,A2Locationinpatent:Page/Pagecolumn56-57

[9]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2009/76142,2009,A2Locationinpatent:Page/Pagecolumn57-58

[1]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2009/73757,2009,A1Locationinpatent:Page/Pagecolumn26-27

[2]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2010/37066,2010,A2Locationinpatent:Page/Pagecolumn33

[3]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-US2013/186801,2013,A1Locationinpatent:Paragraph0381;0382

[4]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-US2013/186801,2013,A1

[5]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2014/71122,2014,A1Locationinpatent:Paragraph00313;00314

[6]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2014/71122,2014,A1

[7]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2015/73231,2015,A1Locationinpatent:Paragraph00328-00329

[8]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2015/73231,2015,A1

[9]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-US2016/324788,2016,A1Locationinpatent:Paragraph0381;0382

[10]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-US2016/324788,2016,A1

[11]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-TWI636051,2018,B

[1]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-US2013/186801,2013,A1

[2]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-US2013/186801,2013,A1

[3]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2014/71122,2014,A1

[4]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2014/71122,2014,A1

[5]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2015/73231,2015,A1

[6]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2015/73231,2015,A1

[7]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-US2016/324788,2016,A1

[8]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-US2016/324788,2016,A1

[9]CurrentPatentAssignee:VIATRISINC-WO2017/17696,2017,A1

[10]CurrentPatentAssignee:GLENMARKPHARMACEUTICALSLTD-WO2017/56031,2017,A1

[11]CurrentPatentAssignee:GLENMARKPHARMACEUTICALSLTD-WO2017/56031,2017,A1

[12]CurrentPatentAssignee:GLENMARKPHARMACEUTICALSLTD-WO2017/56031,2017,A1

[13]CurrentPatentAssignee:GLENMARKPHARMACEUTICALSLTD-WO2017/56031,2017,A1

[14]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-TWI636051,2018,B

1083057-12-8   
Lumacaftor 

[1]Patent:US2013/186801,2013,A1

[2]Patent:US2013/186801,2013,A1

[3]Patent:WO2014/71122,2014,A1

[4]Patent:WO2014/71122,2014,A1

[5]Patent:WO2015/73231,2015,A1

[6]Patent:WO2015/73231,2015,A1

[7]Patent:US2016/324788,2016,A1

[8]Patent:US2016/324788,2016,A1

[9]Patent:WO2017/17696,2017,A1

[10]Patent:TWI636051,2018,B

[1]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-US2013/186801,2013,A1

[2]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-US2013/186801,2013,A1

[3]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2014/71122,2014,A1

[4]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2014/71122,2014,A1

[5]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2015/73231,2015,A1

[6]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2015/73231,2015,A1

[7]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-US2016/324788,2016,A1

[8]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-US2016/324788,2016,A1

[9]CurrentPatentAssignee:VIATRISINC-WO2017/17696,2017,A1

[10]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-TWI636051,2018,B

Literature

Title: Role of CFTR in epithelial physiology.

Journal: Cellular and molecular life sciences : CMLS 20170101

Title: Lumacaftor-ivacaftor (Orkambi) for cystic fibrosis: behind the 'breakthrough'.

Journal: Evidence-based medicine 20160601

Title: Lumacaftor and ivacaftor in the management of patients with cystic fibrosis: current evidence and future prospects.

Journal: Therapeutic advances in respiratory disease 20151201

Title: Cystic fibrosis - a multiorgan protein misfolding disease.

Journal: Future science OA 20150901

Title: A CFTR corrector (lumacaftor) and a CFTR potentiator (ivacaftor) for treatment of patients with cystic fibrosis who have a phe508del CFTR mutation: a phase 2 randomised controlled trial.

Journal: The Lancet. Respiratory medicine 20140701

Title: VX-809 corrects folding defects in cystic fibrosis transmembrane conductance regulator protein through action on membrane-spanning domain 1.

Journal: Molecular biology of the cell 20131001

Title: Mechanism-based corrector combination restores ΔF508-CFTR folding and function.

Journal: Nature chemical biology 20130701

Title: Functional rescue of a kidney anion exchanger 1 trafficking mutant in renal epithelial cells.

Journal: PloS one 20130101

Title: Ivacaftor potentiation of multiple CFTR channels with gating mutations.

Journal: Journal of cystic fibrosis : official journal of the European Cystic Fibrosis Society 20120501

Title: Cystic fibrosis transmembrane conductance regulator-modifying medications: the future of cystic fibrosis treatment.

Journal: The Annals of pharmacotherapy 20120101

Title: Cystic fibrosis transmembrane regulator protein mutations: 'class' opportunity for novel drug innovation.

Journal: Paediatric drugs 20070101

Title: Pharmacotherapy of the ion transport defect in cystic fibrosis: role of purinergic receptor agonists and other potential therapeutics.

Journal: American journal of respiratory medicine : drugs, devices, and other interventions 20030101

Title: Van Goor F, et al. Correction of the F508del-CFTR protein processing defect in vitro by the investigational drug VX-809. Proc Natl Acad Sci U S A. 2011 Nov 15;108(46):18843-8.

Title: Phuan PW, et al. Synergy-based small-molecule screen using a human lung epithelial cell line yields ΔF508-CFTR correctors that augment VX-809 maximal efficacy. Mol Pharmacol. 2014 Jul;86(1):42-51.

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Tags:936727-05-8 Molecular Formula|936727-05-8 MDL|936727-05-8 SMILES|936727-05-8 3-(6-[[1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarbonyl]-amino]-3-methyl-pyridin-2-yl)-benzoic acid
Catalog No.: AA0036Q6
936727-05-8,MFCD16659051
936727-05-8 | 3-(6-[[1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarbonyl]-amino]-3-methyl-pyridin-2-yl)-benzoic acid
Pack Size： 1mg
Purity： 98%
in stock
$6.00 $4.00
Pack Size： 5mg
Purity： 98%
in stock
$8.00 $6.00
Pack Size： 100mg
Purity： 98%
in stock
$32.00 $23.00
Pack Size： 250mg
Purity： 98%
in stock
$50.00 $35.00
Pack Size： 1g
Purity： 98%
in stock
$119.00 $83.00
Pack Size： 5g
Purity： 98%
in stock
$417.00 $292.00
Pack Size： 25g
Purity： 98%
in stock
$1,448.00 $1,014.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0036Q6
Chemical Name: 3-(6-[[1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarbonyl]-amino]-3-methyl-pyridin-2-yl)-benzoic acid
CAS Number: 936727-05-8
Molecular Formula: C24H18F2N2O5
Molecular Weight: 452.4069
MDL Number: MFCD16659051
SMILES: O=C(C1(CC1)c1ccc2c(c1)OC(O2)(F)F)Nc1ccc(c(n1)c1cccc(c1)C(=O)O)C
Properties
BP: 653.013 °C at 760 mmHg  
Form: Solid  
MP: 200-205ºC  
Storage: Room Temperature;  
Complexity: 776  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 33  
Hydrogen Bond Acceptor Count: 8  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.4  
Downstream Synthesis Route
1160221-26-0    936727-05-8 

[1]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2009/76142,2009,A2Locationinpatent:Page/Pagecolumn56

[2]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2009/73757,2009,A1Locationinpatent:Page/Pagecolumn25

[3]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2010/37066,2010,A2Locationinpatent:Page/Pagecolumn31

[4]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2014/71122,2014,A1Locationinpatent:Paragraph00311;00312

[5]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2015/73231,2015,A1Locationinpatent:Paragraph00326-00327

[6]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-US2016/324788,2016,A1Locationinpatent:Paragraph0379;0380

[7]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-TWI636051,2018,BLocationinpatent:Sheet81

[8]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2009/76142,2009,A2Locationinpatent:Page/Pagecolumn56-57

[9]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2009/76142,2009,A2Locationinpatent:Page/Pagecolumn57-58

1160221-25-9    936727-05-8 

[1]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2009/73757,2009,A1Locationinpatent:Page/Pagecolumn26-27

[2]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2010/37066,2010,A2Locationinpatent:Page/Pagecolumn33

[3]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-US2013/186801,2013,A1Locationinpatent:Paragraph0381;0382

[4]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-US2013/186801,2013,A1

[5]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2014/71122,2014,A1Locationinpatent:Paragraph00313;00314

[6]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2014/71122,2014,A1

[7]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2015/73231,2015,A1Locationinpatent:Paragraph00328-00329

[8]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2015/73231,2015,A1

[9]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-US2016/324788,2016,A1Locationinpatent:Paragraph0381;0382

[10]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-US2016/324788,2016,A1

[11]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-TWI636051,2018,B

3430-17-9    936727-05-8 

[1]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-US2013/186801,2013,A1

[2]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-US2013/186801,2013,A1

[3]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2014/71122,2014,A1

[4]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2014/71122,2014,A1

[5]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2015/73231,2015,A1

[6]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2015/73231,2015,A1

[7]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-US2016/324788,2016,A1

[8]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-US2016/324788,2016,A1

[9]CurrentPatentAssignee:VIATRISINC-WO2017/17696,2017,A1

[10]CurrentPatentAssignee:GLENMARKPHARMACEUTICALSLTD-WO2017/56031,2017,A1

[11]CurrentPatentAssignee:GLENMARKPHARMACEUTICALSLTD-WO2017/56031,2017,A1

[12]CurrentPatentAssignee:GLENMARKPHARMACEUTICALSLTD-WO2017/56031,2017,A1

[13]CurrentPatentAssignee:GLENMARKPHARMACEUTICALSLTD-WO2017/56031,2017,A1

[14]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-TWI636051,2018,B

1083057-12-8   
Lumacaftor 

[1]Patent:US2013/186801,2013,A1

[2]Patent:US2013/186801,2013,A1

[3]Patent:WO2014/71122,2014,A1

[4]Patent:WO2014/71122,2014,A1

[5]Patent:WO2015/73231,2015,A1

[6]Patent:WO2015/73231,2015,A1

[7]Patent:US2016/324788,2016,A1

[8]Patent:US2016/324788,2016,A1

[9]Patent:WO2017/17696,2017,A1

[10]Patent:TWI636051,2018,B

1083057-13-9    936727-05-8 

[1]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-US2013/186801,2013,A1

[2]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-US2013/186801,2013,A1

[3]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2014/71122,2014,A1

[4]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2014/71122,2014,A1

[5]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2015/73231,2015,A1

[6]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-WO2015/73231,2015,A1

[7]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-US2016/324788,2016,A1

[8]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-US2016/324788,2016,A1

[9]CurrentPatentAssignee:VIATRISINC-WO2017/17696,2017,A1

[10]CurrentPatentAssignee:VERTEXPHARMACEUTICALS(OLD)-TWI636051,2018,B

Literature fold

Title: Role of CFTR in epithelial physiology.

Journal: Cellular and molecular life sciences : CMLS20170101

Title: Lumacaftor-ivacaftor (Orkambi) for cystic fibrosis: behind the 'breakthrough'.

Journal: Evidence-based medicine20160601

Title: Lumacaftor and ivacaftor in the management of patients with cystic fibrosis: current evidence and future prospects.

Journal: Therapeutic advances in respiratory disease20151201

Title: Cystic fibrosis - a multiorgan protein misfolding disease.

Journal: Future science OA20150901

Title: A CFTR corrector (lumacaftor) and a CFTR potentiator (ivacaftor) for treatment of patients with cystic fibrosis who have a phe508del CFTR mutation: a phase 2 randomised controlled trial.

Journal: The Lancet. Respiratory medicine20140701

Title: VX-809 corrects folding defects in cystic fibrosis transmembrane conductance regulator protein through action on membrane-spanning domain 1.

Journal: Molecular biology of the cell20131001

Title: Mechanism-based corrector combination restores ΔF508-CFTR folding and function.

Journal: Nature chemical biology20130701

Title: Functional rescue of a kidney anion exchanger 1 trafficking mutant in renal epithelial cells.

Journal: PloS one20130101

Title: Ivacaftor potentiation of multiple CFTR channels with gating mutations.

Journal: Journal of cystic fibrosis : official journal of the European Cystic Fibrosis Society20120501

Title: Cystic fibrosis transmembrane conductance regulator-modifying medications: the future of cystic fibrosis treatment.

Journal: The Annals of pharmacotherapy20120101

Title: Cystic fibrosis transmembrane regulator protein mutations: 'class' opportunity for novel drug innovation.

Journal: Paediatric drugs20070101

Title: Pharmacotherapy of the ion transport defect in cystic fibrosis: role of purinergic receptor agonists and other potential therapeutics.

Journal: American journal of respiratory medicine : drugs, devices, and other interventions20030101

Title: Van Goor F, et al. Correction of the F508del-CFTR protein processing defect in vitro by the investigational drug VX-809. Proc Natl Acad Sci U S A. 2011 Nov 15;108(46):18843-8.

Title: Phuan PW, et al. Synergy-based small-molecule screen using a human lung epithelial cell line yields ΔF508-CFTR correctors that augment VX-809 maximal efficacy. Mol Pharmacol. 2014 Jul;86(1):42-51.

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