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1700693-08-8,MFCD28975160
Catalog No.:AA00ABLD

1700693-08-8 | (4-((5-Chloro-4-(methylamino)-7h-pyrrolo[2,3-d]pyrimidin-2-yl)amino)-3-methoxyphenyl)(morpholino)methanone

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$46.00   $32.00
- +
2mg
98+%
in stock  
$87.00   $61.00
- +
5mg
98+%
in stock  
$129.00   $91.00
- +
10mg
98+%
in stock  
$193.00   $136.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00ABLD
Chemical Name:
(4-((5-Chloro-4-(methylamino)-7h-pyrrolo[2,3-d]pyrimidin-2-yl)amino)-3-methoxyphenyl)(morpholino)methanone
CAS Number:
1700693-08-8
Molecular Formula:
C19H21ClN6O3
Molecular Weight:
416.8614
MDL Number:
MFCD28975160
SMILES:
COc1cc(ccc1Nc1nc(NC)c2c(n1)[nH]cc2Cl)C(=O)N1CCOCC1
Properties
Computed Properties
 
Complexity:
566  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.5  

Downstream Synthesis Route

[1]Hatcher,JohnM.;Zhang,Jinwei;Choi,HwanGeun;Ito,Genta;Alessi,DarioR.;Gray,NathanaelS.[ACSMedicinalChemistryLetters,2015,vol.6,#5,p.584-589]

[2]CurrentPatentAssignee:DANA-FARBERCANCERINSTITUTE-WO2016/130920,2016,A2

[1]Hatcher,JohnM.;Zhang,Jinwei;Choi,HwanGeun;Ito,Genta;Alessi,DarioR.;Gray,NathanaelS.[ACSMedicinalChemistryLetters,2015,vol.6,#5,p.584-589]

[2]CurrentPatentAssignee:DANA-FARBERCANCERINSTITUTE-WO2016/130920,2016,A2

[1]Hatcher,JohnM.;Zhang,Jinwei;Choi,HwanGeun;Ito,Genta;Alessi,DarioR.;Gray,NathanaelS.[ACSMedicinalChemistryLetters,2015,vol.6,#5,p.584-589]

[2]CurrentPatentAssignee:DANA-FARBERCANCERINSTITUTE-WO2016/130920,2016,A2

[1]Hatcher,JohnM.;Zhang,Jinwei;Choi,HwanGeun;Ito,Genta;Alessi,DarioR.;Gray,NathanaelS.[ACSMedicinalChemistryLetters,2015,vol.6,#5,p.584-589]

[2]CurrentPatentAssignee:DANA-FARBERCANCERINSTITUTE-WO2016/130920,2016,A2

[1]CurrentPatentAssignee:DANA-FARBERCANCERINSTITUTE-WO2016/130920,2016,A2Locationinpatent:Page/Pagecolumn116;117

[2]Hatcher,JohnM.;Zhang,Jinwei;Choi,HwanGeun;Ito,Genta;Alessi,DarioR.;Gray,NathanaelS.[ACSMedicinalChemistryLetters,2015,vol.6,#5,p.584-589]

Literature

Title: Hatcher JM, et al. Discovery of a Pyrrolopyrimidine (JH-II-127), a Highly Potent, Selective, and Brain Penetrant LRRK2 Inhibitor. ACS Med Chem Lett. 2015 Apr 7;6(5):584-589.

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SDS
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Tags:1700693-08-8 Molecular Formula|1700693-08-8 MDL|1700693-08-8 SMILES|1700693-08-8 (4-((5-Chloro-4-(methylamino)-7h-pyrrolo[2,3-d]pyrimidin-2-yl)amino)-3-methoxyphenyl)(morpholino)methanone
Catalog No.: AA00ABLD
1700693-08-8,MFCD28975160
1700693-08-8 | (4-((5-Chloro-4-(methylamino)-7h-pyrrolo[2,3-d]pyrimidin-2-yl)amino)-3-methoxyphenyl)(morpholino)methanone
Pack Size： 1mg
Purity： ≥98%
in stock
$46.00 $32.00
Pack Size： 2mg
Purity： 98+%
in stock
$87.00 $61.00
Pack Size： 5mg
Purity： 98+%
in stock
$129.00 $91.00
Pack Size： 10mg
Purity： 98+%
in stock
$193.00 $136.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00ABLD
Chemical Name: (4-((5-Chloro-4-(methylamino)-7h-pyrrolo[2,3-d]pyrimidin-2-yl)amino)-3-methoxyphenyl)(morpholino)methanone
CAS Number: 1700693-08-8
Molecular Formula: C19H21ClN6O3
Molecular Weight: 416.8614
MDL Number: MFCD28975160
SMILES: COc1cc(ccc1Nc1nc(NC)c2c(n1)[nH]cc2Cl)C(=O)N1CCOCC1
Properties
Complexity: 566  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 29  
Hydrogen Bond Acceptor Count: 7  
Hydrogen Bond Donor Count: 3  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.5  
Downstream Synthesis Route
39929-79-8    1700693-08-8 

[1]Hatcher,JohnM.;Zhang,Jinwei;Choi,HwanGeun;Ito,Genta;Alessi,DarioR.;Gray,NathanaelS.[ACSMedicinalChemistryLetters,2015,vol.6,#5,p.584-589]

[2]CurrentPatentAssignee:DANA-FARBERCANCERINSTITUTE-WO2016/130920,2016,A2

90213-66-4    1700693-08-8 

[1]Hatcher,JohnM.;Zhang,Jinwei;Choi,HwanGeun;Ito,Genta;Alessi,DarioR.;Gray,NathanaelS.[ACSMedicinalChemistryLetters,2015,vol.6,#5,p.584-589]

[2]CurrentPatentAssignee:DANA-FARBERCANCERINSTITUTE-WO2016/130920,2016,A2

1053228-28-6    1700693-08-8 

[1]Hatcher,JohnM.;Zhang,Jinwei;Choi,HwanGeun;Ito,Genta;Alessi,DarioR.;Gray,NathanaelS.[ACSMedicinalChemistryLetters,2015,vol.6,#5,p.584-589]

[2]CurrentPatentAssignee:DANA-FARBERCANCERINSTITUTE-WO2016/130920,2016,A2

1313036-72-4    1700693-08-8 

[1]Hatcher,JohnM.;Zhang,Jinwei;Choi,HwanGeun;Ito,Genta;Alessi,DarioR.;Gray,NathanaelS.[ACSMedicinalChemistryLetters,2015,vol.6,#5,p.584-589]

[2]CurrentPatentAssignee:DANA-FARBERCANCERINSTITUTE-WO2016/130920,2016,A2

761441-08-1    1700693-15-7    1700693-08-8 

[1]CurrentPatentAssignee:DANA-FARBERCANCERINSTITUTE-WO2016/130920,2016,A2Locationinpatent:Page/Pagecolumn116;117

[2]Hatcher,JohnM.;Zhang,Jinwei;Choi,HwanGeun;Ito,Genta;Alessi,DarioR.;Gray,NathanaelS.[ACSMedicinalChemistryLetters,2015,vol.6,#5,p.584-589]

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