Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C29H48N2O3S.C3H8O.ClH |
| Molecular Weight | 601.324 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 11 / 11 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CC(C)O.[H][C@@]12C[C@H](C)CN[C@@]1([H])[C@@H](C)[C@@]3(CC[C@]4([H])C(C[C@@]5([H])[C@@]4([H])CC[C@]6([H])C[C@@H](CC[C@]56C)NS(C)(=O)=O)=C(C)C3)O2
InChI
InChIKey=HHYYMWIYSJLBSC-ONTSKKBXSA-N
InChI=1S/C29H48N2O3S.C3H8O.ClH/c1-17-12-26-27(30-16-17)19(3)29(34-26)11-9-22-23-7-6-20-13-21(31-35(5,32)33)8-10-28(20,4)25(23)14-24(22)18(2)15-29;1-3(2)4;/h17,19-23,25-27,30-31H,6-16H2,1-5H3;3-4H,1-2H3;1H/t17-,19+,20+,21+,22-,23-,25-,26+,27-,28-,29-;;/m0../s1
| Molecular Formula | C3H8O |
| Molecular Weight | 60.095 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C29H48N2O3S |
| Molecular Weight | 504.768 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 11 / 11 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
FIN-6 (PATIDEGIB, IPI-926), a semisynthetic derivative of alkaloid cyclopamine, is a G protein-coupled receptor Smoothened (Smo) inhibitor with antineoplastic activity. Smo is a key signaling transmembrane protein in the Hedgehog signaling pathway which plays an important role in the proliferation of neuronal precursor cells in the developing cerebellum and other tissues. FIN-6 (PATIDEGIB, IPI-926) is under development for Gorlin syndrome, basal cell carcinomas, and other potential indications.
Originator
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 19:48:03 GMT 2023
by
admin
on
Fri Dec 15 19:48:03 GMT 2023
|
| Record UNII |
KLV7Y0UYLI
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Common Name | English |
| Code System | Code | Type | Description | ||
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300000010628
Created by
admin on Fri Dec 15 19:48:03 GMT 2023 , Edited by admin on Fri Dec 15 19:48:03 GMT 2023
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PRIMARY | |||
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76955989
Created by
admin on Fri Dec 15 19:48:03 GMT 2023 , Edited by admin on Fri Dec 15 19:48:03 GMT 2023
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PRIMARY | |||
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KLV7Y0UYLI
Created by
admin on Fri Dec 15 19:48:03 GMT 2023 , Edited by admin on Fri Dec 15 19:48:03 GMT 2023
|
PRIMARY |
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PARENT -> SALT/SOLVATE | |||
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ANHYDROUS->SOLVATE |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |