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1007207-67-1,MFCD22419020
Catalog No.:AA0002MI
1007207-67-1 | 2-Pyrimidinamine, 5-[6,7-dihydro-7-(methylsulfonyl)-2-(4-morpholinyl)-5H-pyrrolo[2,3-d]pyrimidin-4-yl]-
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1mg
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5mg
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$160.00
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10mg
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$264.00
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50mg
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100mg
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0002MI
Chemical Name:
2-Pyrimidinamine, 5-[6,7-dihydro-7-(methylsulfonyl)-2-(4-morpholinyl)-5H-pyrrolo[2,3-d]pyrimidin-4-yl]-
CAS Number:
1007207-67-1
Molecular Formula:
C15H19N7O3S
Molecular Weight:
377.4215
MDL Number:
MFCD22419020
IUPAC Name:
5-(7-methylsulfonyl-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine
InChI:
InChI=1S/C15H19N7O3S/c1-26(23,24)22-3-2-11-12(10-8-17-14(16)18-9-10)19-15(20-13(11)22)21-4-6-25-7-5-21/h8-9H,2-7H2,1H3,(H2,16,17,18)
InChI Key:
JEGHXKRHKHPBJD-UHFFFAOYSA-N
SMILES:
Nc1ncc(cn1)c1nc(nc2c1CCN2S(=O)(=O)C)N1CCOCC1
UNII:
JCL936W835
Properties
Computed Properties
 
Complexity:
587  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.127g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
377.423g/mol
Monoisotopic Mass:
377.127g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  

Synonyms
 
CH 5132799 
CH-5132799 
JCL936W835 
5-(7-Methanesulfonyl-2-Morpholin-4-Yl-6,7-Dihydro-5h-Pyrrolo[2,3-D]pyrimidin-4-Yl)-Pyrimidin-2-Ylamine 
C15H19N7O3S 
(5-(7-Methylsulfonyl-2-(morpholin-4-yl)-6,7-dihydro-5H-pyrrolo(2,3-d)pyrimidin-4-yl)pyrimidin-2-yl)amine 
JEGHXKRHKHPBJD-UHFFFAOYSA-N 
[5-[7-Methylsulfonyl-2-(morpholin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-yl]amine 
MLS006010989 
GTPL7743 
QCR-47 
SCHEMBL2377154 
CH5132799 
DTXSID40678540 
EX-A997 
MEN1611 
SYN1146 
HMS3656H15 
AOB87718 
BCP02894 
2316AH 
BDBM50338197 
MFCD22419020 
CH5132799 
PA-799 
s2699 
ZINC66074200 
AKOS025404886 
BCP9000513 
CS-0981 
DB13051 
SB20410 
NCGC00346650-01 
NCGC00346650-06 
1007207-67-1 
4CA-0367 
AC-28422 
AK174869 
AS-16285 
BC600308 
HY-15466 
SMR004702790 
BCP0726000261 
AB0094922 
SW220190-1 
CH-5132799 
Q-4023 
J-000203 
CH 5132799;CH-5132799;1007207-67-1 
2-Pyrimidinamine, 5-[6,7-dihydro-7-(methylsulfonyl)-2-(4-morpholinyl)-5H-pyrrolo[2,3-d]pyrimidin-4-yl]- 
5-(7-methylsulfonyl-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine 
5-[7-(Methanesulfonyl)-2-(morpholin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine 
5-[7-(Methylsulfonyl)-2-(4-morpholinyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-pyrimidinamine 
5-[7-(methylsulfonyl)-2-(morpholin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine 
5-[7-methanesulfonyl-2-(morpholin-4-yl)-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine 
5-[7-methanesulfonyl-2-(morpholin-4-yl)-5H,6H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine 
5-(7-(methylsulfonyl)-2-morpholino-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine 
D03XAQ 
cc-614 
B2183 
CH-5033855 
CH-5061565 
CH-5089788 
CH-5108135 
CH-5111436 
CH-5138134 
A11169 
CH 5132799 
UNII-JCL936W835 
CHEMBL1684984 
Literature

Title: Discovery and biological activity of a novel class I PI3K inhibitor, CH5132799.

Journal: Bioorganic & medicinal chemistry letters 20110315

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