Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C16H12F5N5O2 |
| Molecular Weight | 401.2908 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=C(OC2=C1C=C(F)C=C2F)[C@@H](NC(=O)NC3=CN=C(N)N=C3)C(F)(F)F
InChI
InChIKey=LGPNQALKGDDVBD-CYBMUJFWSA-N
InChI=1S/C16H12F5N5O2/c1-6-9-2-7(17)3-10(18)12(9)28-11(6)13(16(19,20)21)26-15(27)25-8-4-23-14(22)24-5-8/h2-5,13H,1H3,(H2,22,23,24)(H2,25,26,27)/t13-/m1/s1
| Molecular Formula | C16H12F5N5O2 |
| Molecular Weight | 401.2908 |
| 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 19:19:24 GMT 2023
by
admin
on
Sat Dec 16 19:19:24 GMT 2023
|
| Record UNII |
AGX9NKC8M9
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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AGX9NKC8M9
Created by
admin on Sat Dec 16 19:19:24 GMT 2023 , Edited by admin on Sat Dec 16 19:19:24 GMT 2023
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166532451
Created by
admin on Sat Dec 16 19:19:24 GMT 2023 , Edited by admin on Sat Dec 16 19:19:24 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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TARGET -> INHIBITOR |
STX-478 is a second-generation, allosteric, mutant-selective, PI3Kα small molecule inhibitor
ALLOSTERIC
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
STX-478 is a second-generation, allosteric, mutant-selective, PI3Kα small molecule inhibitor. It is highly selective for the prevalent H1047X (eg, H1047L and H1047R), M1043I, and G1049R kinase domain mutations that comprise over 40% of all PI3Kα mutations in breast cancers
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