Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C31H42N4O5 |
| Molecular Weight | 550.689 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CC=CC(CN([C@H]2C[C@H](N(CC3=CC4=C(OCO4)C=C3)C2)C(=O)N5CCNCC5)C(=O)CC(C)(C)C)=C1
InChI
InChIKey=WPHXYKUPFJRJDK-AHWVRZQESA-N
InChI=1S/C31H42N4O5/c1-31(2,3)17-29(36)35(19-22-6-5-7-25(14-22)38-4)24-16-26(30(37)33-12-10-32-11-13-33)34(20-24)18-23-8-9-27-28(15-23)40-21-39-27/h5-9,14-15,24,26,32H,10-13,16-21H2,1-4H3/t24-,26-/m0/s1
| Molecular Formula | C31H42N4O5 |
| Molecular Weight | 550.689 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 02:59:48 UTC 2023
by
admin
on
Sat Dec 16 02:59:48 UTC 2023
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| Record UNII |
809U4O7OQO
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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Code | English | ||
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Systematic Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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10392802
Created by
admin on Sat Dec 16 02:59:48 UTC 2023 , Edited by admin on Sat Dec 16 02:59:48 UTC 2023
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PRIMARY | |||
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334998-36-6
Created by
admin on Sat Dec 16 02:59:48 UTC 2023 , Edited by admin on Sat Dec 16 02:59:48 UTC 2023
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C155725
Created by
admin on Sat Dec 16 02:59:48 UTC 2023 , Edited by admin on Sat Dec 16 02:59:48 UTC 2023
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CONCEPT | |||
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N-((3S,5S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)-5-(PIPERAZINE-1-CARBONYL)PYRROLIDIN-3-YL)-N-((3-METHOXYPHENYL)METHYL)-3,3-DIMETHYL-BUTANAMIDE
Created by
admin on Sat Dec 16 02:59:48 UTC 2023 , Edited by admin on Sat Dec 16 02:59:48 UTC 2023
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PRIMARY | CUR61414 | ||
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DTXSID00439139
Created by
admin on Sat Dec 16 02:59:48 UTC 2023 , Edited by admin on Sat Dec 16 02:59:48 UTC 2023
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PRIMARY | |||
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C185437
Created by
admin on Sat Dec 16 02:59:48 UTC 2023 , Edited by admin on Sat Dec 16 02:59:48 UTC 2023
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PRIMARY | |||
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809U4O7OQO
Created by
admin on Sat Dec 16 02:59:48 UTC 2023 , Edited by admin on Sat Dec 16 02:59:48 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
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TARGET -> INHIBITOR |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |
In mice, topical CUR61414 significantly inhibited skin Hh signaling, blocked the induction of hair follicle anagen, and shrank existing BCCs. However, we observed no clinical activity of this formulation in human superficial or nodular BCCs in a phase I clinical study.
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ACTIVE MOIETY |
We identified a novel small molecule Hh inhibitor (CUR61414) that can block elevated Hh signaling activity resulting from oncogenic mutations in Patched-1. Moreover, CUR61414 can suppress proliferation and induce apoptosis of basaloid nests in the BCC model systems, whereas having no effect on normal skin cells.
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