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1257213-50-5,MFCD30489743
Catalog No.:AA000OGJ

1257213-50-5 | Cyclopropanecarboxylic acid, 1-[4'-[3-methyl-4-[[[(1R)-1-phenylethoxy]carbonyl]amino]-5-isoxazolyl][1,1'-biphenyl]-4-yl]-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥95%
in stock  
$88.00   $61.00
- +
5mg
99%
in stock  
$116.00   $82.00
- +
10mg
97%
in stock  
$128.00   $90.00
- +
25mg
99%
in stock  
$275.00   $193.00
- +
100mg
95%
in stock  
$460.00   $322.00
- +
250mg
95%
in stock  
$866.00   $607.00
- +
1g
95%
in stock  
$2,089.00   $1,462.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA000OGJ
Chemical Name:
Cyclopropanecarboxylic acid, 1-[4'-[3-methyl-4-[[[(1R)-1-phenylethoxy]carbonyl]amino]-5-isoxazolyl][1,1'-biphenyl]-4-yl]-
CAS Number:
1257213-50-5
Molecular Formula:
C29H26N2O5
Molecular Weight:
482.5271
MDL Number:
MFCD30489743
SMILES:
O=C(O[C@@H](c1ccccc1)C)Nc1c(C)noc1c1ccc(cc1)c1ccc(cc1)C1(CC1)C(=O)O
Properties
Computed Properties
 
Complexity:
764  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
8  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
5.3  

Downstream Synthesis Route

[1]Patent:WO2010/141761,2010,A2.Locationinpatent:Page/Pagecolumn66

[1]Patent:WO2010/141761,2010,A2.Locationinpatent:Page/Pagecolumn42-43

[2]Patent:WO2012/78805,2012,A1.Locationinpatent:Page/Pagecolumn88

[1]Patent:WO2010/141761,2010,A2.Locationinpatent:Page/Pagecolumn45

[2]Patent:WO2012/78805,2012,A1.Locationinpatent:Page/Pagecolumn90

[3]OrganicProcessResearchandDevelopment,2017,vol.21,p.1859-1863

[1]Patent:WO2010/141761,2010,A2.Locationinpatent:Page/Pagecolumn47

[2]Patent:WO2012/78805,2012,A1.Locationinpatent:Page/Pagecolumn91

[1]Patent:WO2012/78805,2012,A1

[2]Patent:WO2012/78805,2012,A1

Literature

Title: Lysophospholipid receptors in drug discovery.

Journal: Experimental cell research 20150501

Title: Kihara Y, et al. Lysophospholipid receptors in drug discovery. Exp Cell Res. 2015 May 1;333(2):171-7.

Title: Glenn Rosen, et al. LPA1 antagonists BMS-986020 and BMS-986234 for idiopathic pulmonary fibrosis: Preclinical evaluation of hepatobiliary homeostasis. European Respiratory Journal.

Title: Palmer SM, et al. Randomized, Double-Blind, Placebo-Controlled, Phase 2 Trial of BMS-986020, a Lysophosphatidic Acid Receptor Antagonist for the Treatment of Idiopathic Pulmonary Fibrosis. Chest. 2018 Nov;154(5):1061-1069.

Title: Adrienne Pena, et al. Autoradiographic evaluation of 8FBMT-083133, a lysophosphatidic acid receptor 1 (LPA1) radioligand. The jornal of nuclear medicine.

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SDS
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Tags:1257213-50-5 Molecular Formula|1257213-50-5 MDL|1257213-50-5 SMILES|1257213-50-5 Cyclopropanecarboxylic acid, 1-[4'-[3-methyl-4-[[[(1R)-1-phenylethoxy]carbonyl]amino]-5-isoxazolyl][1,1'-biphenyl]-4-yl]-
Catalog No.: AA000OGJ
1257213-50-5,MFCD30489743
1257213-50-5 | Cyclopropanecarboxylic acid, 1-[4'-[3-methyl-4-[[[(1R)-1-phenylethoxy]carbonyl]amino]-5-isoxazolyl][1,1'-biphenyl]-4-yl]-
Pack Size： 1mg
Purity： ≥95%
in stock
$88.00 $61.00
Pack Size： 5mg
Purity： 99%
in stock
$116.00 $82.00
Pack Size： 10mg
Purity： 97%
in stock
$128.00 $90.00
Pack Size： 25mg
Purity： 99%
in stock
$275.00 $193.00
Pack Size： 100mg
Purity： 95%
in stock
$460.00 $322.00
Pack Size： 250mg
Purity： 95%
in stock
$866.00 $607.00
Pack Size： 1g
Purity： 95%
in stock
$2,089.00 $1,462.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA000OGJ
Chemical Name: Cyclopropanecarboxylic acid, 1-[4'-[3-methyl-4-[[[(1R)-1-phenylethoxy]carbonyl]amino]-5-isoxazolyl][1,1'-biphenyl]-4-yl]-
CAS Number: 1257213-50-5
Molecular Formula: C29H26N2O5
Molecular Weight: 482.5271
MDL Number: MFCD30489743
SMILES: O=C(O[C@@H](c1ccccc1)C)Nc1c(C)noc1c1ccc(cc1)c1ccc(cc1)C1(CC1)C(=O)O
Properties
Complexity: 764  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 1  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 36  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 8  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 5.3  
Downstream Synthesis Route
3144-09-0    1257213-50-5    1257214-49-5 

[1]Patent:WO2010/141761,2010,A2.Locationinpatent:Page/Pagecolumn66

1159489-46-9    1228690-37-6    1257213-50-5 

[1]Patent:WO2010/141761,2010,A2.Locationinpatent:Page/Pagecolumn42-43

[2]Patent:WO2012/78805,2012,A1.Locationinpatent:Page/Pagecolumn88

1380650-63-4    1257213-50-5 

[1]Patent:WO2010/141761,2010,A2.Locationinpatent:Page/Pagecolumn45

[2]Patent:WO2012/78805,2012,A1.Locationinpatent:Page/Pagecolumn90

[3]OrganicProcessResearchandDevelopment,2017,vol.21,p.1859-1863

1380650-70-3    1257213-50-5 

[1]Patent:WO2010/141761,2010,A2.Locationinpatent:Page/Pagecolumn47

[2]Patent:WO2012/78805,2012,A1.Locationinpatent:Page/Pagecolumn91

31603-77-7    1257213-50-5 

[1]Patent:WO2012/78805,2012,A1

[2]Patent:WO2012/78805,2012,A1

Literature fold

Title: Lysophospholipid receptors in drug discovery.

Journal: Experimental cell research20150501

Title: Kihara Y, et al. Lysophospholipid receptors in drug discovery. Exp Cell Res. 2015 May 1;333(2):171-7.

Title: Glenn Rosen, et al. LPA1 antagonists BMS-986020 and BMS-986234 for idiopathic pulmonary fibrosis: Preclinical evaluation of hepatobiliary homeostasis. European Respiratory Journal.

Title: Palmer SM, et al. Randomized, Double-Blind, Placebo-Controlled, Phase 2 Trial of BMS-986020, a Lysophosphatidic Acid Receptor Antagonist for the Treatment of Idiopathic Pulmonary Fibrosis. Chest. 2018 Nov;154(5):1061-1069.

Title: Adrienne Pena, et al. Autoradiographic evaluation of 8FBMT-083133, a lysophosphatidic acid receptor 1 (LPA1) radioligand. The jornal of nuclear medicine.

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