Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C29H48N2O3S.ClH |
| Molecular Weight | 541.229 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 11 / 11 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.[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=LICVMCOINZNZNW-BATHLIJTSA-N
InChI=1S/C29H48N2O3S.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;/h17,19-23,25-27,30-31H,6-16H2,1-5H3;1H/t17-,19+,20+,21+,22-,23-,25-,26+,27-,28-,29-;/m0./s1
| 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
PubMed
| Title | Date | PubMed |
|---|---|---|
| Discovery of a potent and orally active hedgehog pathway antagonist (IPI-926). | 2009 Jul 23 |
|
| Self-renewal of acute lymphocytic leukemia cells is limited by the Hedgehog pathway inhibitors cyclopamine and IPI-926. | 2010 Dec 28 |
|
| Phase I study of the Hedgehog pathway inhibitor IPI-926 in adult patients with solid tumors. | 2013 May 15 |
|
| Hedgehog pathway inhibition in chondrosarcoma using the smoothened inhibitor IPI-926 directly inhibits sarcoma cell growth. | 2014 May |
|
| A Phase I Study of FOLFIRINOX Plus IPI-926, a Hedgehog Pathway Inhibitor, for Advanced Pancreatic Adenocarcinoma. | 2016 Mar |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 19:16:58 UTC 2023
by
admin
on
Fri Dec 15 19:16:58 UTC 2023
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| Record UNII |
ZL14FCA5PK
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| Record Status |
Validated (UNII)
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| Record Version |
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1169829-40-6
Created by
admin on Fri Dec 15 19:16:59 UTC 2023 , Edited by admin on Fri Dec 15 19:16:59 UTC 2023
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300000010627
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CHEMBL3301623
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admin on Fri Dec 15 19:16:59 UTC 2023 , Edited by admin on Fri Dec 15 19:16:59 UTC 2023
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ZL14FCA5PK
Created by
admin on Fri Dec 15 19:16:59 UTC 2023 , Edited by admin on Fri Dec 15 19:16:59 UTC 2023
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42642200
Created by
admin on Fri Dec 15 19:16:59 UTC 2023 , Edited by admin on Fri Dec 15 19:16:59 UTC 2023
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C170287
Created by
admin on Fri Dec 15 19:16:59 UTC 2023 , Edited by admin on Fri Dec 15 19:16:59 UTC 2023
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YY-140
Created by
admin on Fri Dec 15 19:16:59 UTC 2023 , Edited by admin on Fri Dec 15 19:16:59 UTC 2023
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| Related Record | Type | Details | ||
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SOLVATE->ANHYDROUS | |||
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |