Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C22H22ClF2NO4 |
| Molecular Weight | 437.864 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1(C)CCC(C)(C)C2=C1C=C(C(=O)NC3=CC(F)=C(C(O)=O)C(F)=C3)C(O)=C2Cl
InChI
InChIKey=PNAWUIKCVQSLFG-UHFFFAOYSA-N
InChI=1S/C22H22ClF2NO4/c1-21(2)5-6-22(3,4)16-12(21)9-11(18(27)17(16)23)19(28)26-10-7-13(24)15(20(29)30)14(25)8-10/h7-9,27H,5-6H2,1-4H3,(H,26,28)(H,29,30)
| Molecular Formula | C22H22ClF2NO4 |
| Molecular Weight | 437.864 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:30:53 GMT 2023
by
admin
on
Fri Dec 15 15:30:53 GMT 2023
|
| Record UNII |
RC87L028HU
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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| Code System | Code | Type | Description | ||
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367273-07-2
Created by
admin on Fri Dec 15 15:30:53 GMT 2023 , Edited by admin on Fri Dec 15 15:30:53 GMT 2023
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PRIMARY | |||
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DB05653
Created by
admin on Fri Dec 15 15:30:53 GMT 2023 , Edited by admin on Fri Dec 15 15:30:53 GMT 2023
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PRIMARY | |||
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9867758
Created by
admin on Fri Dec 15 15:30:53 GMT 2023 , Edited by admin on Fri Dec 15 15:30:53 GMT 2023
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PRIMARY | |||
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IRX-5183
Created by
admin on Fri Dec 15 15:30:53 GMT 2023 , Edited by admin on Fri Dec 15 15:30:53 GMT 2023
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PRIMARY | AGN 195183 is a potent and selective agonist of RAR.ALPHA.(Kd=3 nM) with improved binding selectivity relative to AGN 193836no activity on RAR.BETA./.GAMMA..IC50 value: 3 nM (Kd)200 nM (EC80, RAR Trans.)Target: RAR.ALPHA. agonistCompound 4(AGN-195183) inhibited the growth of breast cancer cell lines, and was inactive in an in vivo model of topical irritation.Compound 4 and ATRA inhibit growth of the human breast cancer cell lines, T-47D and SK-BR-3, compound 4 does not cause the topical irritation induced by the RARa-selective retinoid, Am-580. Compound 4 (AGN 195183) is currently in Phase I/IIA clinical trials in cancer patients. | ||
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CHEMBL107430
Created by
admin on Fri Dec 15 15:30:53 GMT 2023 , Edited by admin on Fri Dec 15 15:30:53 GMT 2023
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PRIMARY | |||
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1275609-69-2
Created by
admin on Fri Dec 15 15:30:53 GMT 2023 , Edited by admin on Fri Dec 15 15:30:53 GMT 2023
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NO STRUCTURE GIVEN | |||
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RC87L028HU
Created by
admin on Fri Dec 15 15:30:53 GMT 2023 , Edited by admin on Fri Dec 15 15:30:53 GMT 2023
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C77899
Created by
admin on Fri Dec 15 15:30:53 GMT 2023 , Edited by admin on Fri Dec 15 15:30:53 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |
