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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H25F3N8O4
Molecular Weight 498.4589
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PF-06843195

SMILES

NC1=NC=C(C=N1)C2=C(F)C(N[C@@]3(CO)CCN(C3)C(=O)OCC(F)F)=NC(=N2)N4CCOCC4

InChI

InChIKey=RTOREZYNLPQUKM-FQEVSTJZSA-N
InChI=1S/C20H25F3N8O4/c21-13(22)9-35-19(33)31-2-1-20(10-31,11-32)29-16-14(23)15(12-7-25-17(24)26-8-12)27-18(28-16)30-3-5-34-6-4-30/h7-8,13,32H,1-6,9-11H2,(H2,24,25,26)(H,27,28,29)/t20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H25F3N8O4
Molecular Weight 498.4589
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:54:10 UTC 2023
Edited
by admin
on Sat Dec 16 18:54:10 UTC 2023
Record UNII
75658JDG29
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PF-06843195
Code English
2,2-DIFLUOROETHYL (3S)-3-((2'-AMINO-5-FLUORO-2-(4-MORPHOLINYL)(4,5'-BIPYRIMIDIN)-6-YL)AMINO)-3-(HYDROXYMETHYL)-1-PYRROLIDINECARBOXYLATE
Systematic Name English
2,2-DIFLUOROETHYL (3S)-3-((2'-AMINO-5-FLUORO-2-(MORPHOLIN-4-YL)-4,5'-BIPYRIMIDIN-6-YL)AMINO)-3-(HYDROXYMETHYL)PYRROLIDINE-1-CARBOXYLATE
Systematic Name English
1-PYRROLIDINECARBOXYLIC ACID, 3-((2'-AMINO-5-FLUORO-2-(4-MORPHOLINYL)(4,5'-BIPYRIMIDIN)-6-YL)AMINO)-3-(HYDROXYMETHYL)-, 2,2-DIFLUOROETHYL ESTER, (3S)-
Systematic Name English
Code System Code Type Description
CAS
2067281-51-8
Created by admin on Sat Dec 16 18:54:10 UTC 2023 , Edited by admin on Sat Dec 16 18:54:10 UTC 2023
PRIMARY
FDA UNII
75658JDG29
Created by admin on Sat Dec 16 18:54:10 UTC 2023 , Edited by admin on Sat Dec 16 18:54:10 UTC 2023
PRIMARY
PUBCHEM
124193915
Created by admin on Sat Dec 16 18:54:10 UTC 2023 , Edited by admin on Sat Dec 16 18:54:10 UTC 2023
PRIMARY
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Highly selective PI3Kα inhibitor when tested at 1 μM in a broad kinase panel (344 assays). >1000-fold selective over the members of class 2 (PI3K-C2α, PI3K-C2β), class 3 (hVPS34), and class 4 (PI3Kα, PI4Kβ) groups of the PI3K family, PI3K-related (DNA-PK, mTOR) kinase family.
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ACTIVE MOIETY