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
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
| 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
Edited
Sat Dec 16 18:54:10 GMT 2023
by
admin
on
Sat Dec 16 18:54:10 GMT 2023
|
| Record UNII |
75658JDG29
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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2067281-51-8
Created by
admin on Sat Dec 16 18:54:10 GMT 2023 , Edited by admin on Sat Dec 16 18:54:10 GMT 2023
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75658JDG29
Created by
admin on Sat Dec 16 18:54:10 GMT 2023 , Edited by admin on Sat Dec 16 18:54:10 GMT 2023
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124193915
Created by
admin on Sat Dec 16 18:54:10 GMT 2023 , Edited by admin on Sat Dec 16 18:54:10 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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TARGET -> INHIBITOR |
Ki
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TARGET -> INHIBITOR |
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.
Ki
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PRODRUG -> METABOLITE ACTIVE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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