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1246560-33-7,MFCD25372027
Catalog No.:AA000MHC

1246560-33-7 | 5-[9-Isopropyl-8-methyl-2-(morpholin-4-yl)purin-6-yl]pyrimidin-2-amine

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$46.00   $32.00
- +
5mg
98%
in stock  
$100.00   $70.00
- +
25mg
98%
in stock  
$212.00   $148.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA000MHC
Chemical Name:
5-[9-Isopropyl-8-methyl-2-(morpholin-4-yl)purin-6-yl]pyrimidin-2-amine
CAS Number:
1246560-33-7
Molecular Formula:
C17H22N8O
Molecular Weight:
354.4096
MDL Number:
MFCD25372027
SMILES:
Nc1ncc(cn1)c1nc(nc2c1nc(n2C(C)C)C)N1CCOCC1
Properties
Computed Properties
 
Complexity:
466  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.8  

Downstream Synthesis Route

[1]CurrentPatentAssignee:VERASTEMINC-WO2010/114484,2010,A1Locationinpatent:Page/Pagecolumn21

[2]CurrentPatentAssignee:VERASTEMINC-JP5746777,2015,B2Locationinpatent:Paragraph0082

[3]CurrentPatentAssignee:VERASTEMINC-US2012/142683,2012,A1Locationinpatent:Page/Pagecolumn9

Literature

Title: VS-5584, a novel and highly selective PI3K/mTOR kinase inhibitor for the treatment of cancer.

Journal: Molecular cancer therapeutics 20130201

Title: Hart S, et al. VS-5584, a novel and highly selective PI3K/mTOR kinase inhibitor for the treatment of cancer. Mol Cancer Ther, 2013, 12(2), 151-161.

Quotation Request
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SDS
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Tags:1246560-33-7 Molecular Formula|1246560-33-7 MDL|1246560-33-7 SMILES|1246560-33-7 5-[9-Isopropyl-8-methyl-2-(morpholin-4-yl)purin-6-yl]pyrimidin-2-amine
Catalog No.: AA000MHC
1246560-33-7,MFCD25372027
1246560-33-7 | 5-[9-Isopropyl-8-methyl-2-(morpholin-4-yl)purin-6-yl]pyrimidin-2-amine
Pack Size： 1mg
Purity： ≥98%
in stock
$46.00 $32.00
Pack Size： 5mg
Purity： 98%
in stock
$100.00 $70.00
Pack Size： 25mg
Purity： 98%
in stock
$212.00 $148.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA000MHC
Chemical Name: 5-[9-Isopropyl-8-methyl-2-(morpholin-4-yl)purin-6-yl]pyrimidin-2-amine
CAS Number: 1246560-33-7
Molecular Formula: C17H22N8O
Molecular Weight: 354.4096
MDL Number: MFCD25372027
SMILES: Nc1ncc(cn1)c1nc(nc2c1nc(n2C(C)C)C)N1CCOCC1
Properties
Complexity: 466  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 26  
Hydrogen Bond Acceptor Count: 8  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.8  
Downstream Synthesis Route
1246535-96-5    544-97-8    1246560-33-7 

[1]CurrentPatentAssignee:VERASTEMINC-WO2010/114484,2010,A1Locationinpatent:Page/Pagecolumn21

[2]CurrentPatentAssignee:VERASTEMINC-JP5746777,2015,B2Locationinpatent:Paragraph0082

[3]CurrentPatentAssignee:VERASTEMINC-US2012/142683,2012,A1Locationinpatent:Page/Pagecolumn9

Literature fold

Title: VS-5584, a novel and highly selective PI3K/mTOR kinase inhibitor for the treatment of cancer.

Journal: Molecular cancer therapeutics20130201

Title: Hart S, et al. VS-5584, a novel and highly selective PI3K/mTOR kinase inhibitor for the treatment of cancer. Mol Cancer Ther, 2013, 12(2), 151-161.

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