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  3. HIT212669091
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HIT212669091
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HIT212669091
  • HIT ID:HIT212669091
  • Cas No:367273-07-2
  • 常用名:AGN-195183
  • IUPAC:4-(4-chloro-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene-2-amido)-2,6-difluorobenzoic acid
    IUPAC:4-(4-chloro-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene-2-amido)-2,6-difluorobenzoic acid
  • InChI key:PNAWUIKCVQSLFG-UHFFFAOYSA-N
  • 分子式:C22H22ClF2NO4
  • 分子量:437.87
  • 氢键供体数 (HBD):3
  • 氢键受体数 (HBA):4
  • LogP:5.9349833
  • SMILES:CC1(C)CCC(C)(C)c2c(Cl)c(O)c(cc12)C(=O)Nc1cc(F)c(C(O)=O)c(F)c1
    SMILES:CC1(C)CCC(C)(C)c2c(Cl)c(O)c(cc12)C(=O)Nc1cc(F)c(C(O)=O)c(F)c1
  • AGN 195183 is a potent and selective agonist of RARα(Kd=3 nM) with improved binding selectivity relative to AGN 193836; no activity on RARβ/γ. IC50 value: 3 nM (Kd); 200 nM (EC80, RAR Trans.) Target: RARα agonist Compound 4(AGN-195183) inhibited the growth of breast cancer cell lines, and was inactive in an in vivo model of topical irritation. Compound 4 (AGN 195183) is currently in Phase I/IIA clinical trials in cancer patients. Compound 4 and ATRA inhibit growth of the human breast cancer cell lines, T-47D and SK-BR-3, however it does not cause the topical irritation induced by the RARa-selective retinoid, Am-580.
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