Name: TEI-9647
Rating: 5 (10 reviews)

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HIT ID:HIT212673400
Cas No:173388-20-0
常用名:TEI-9647
IUPAC:(5S)-5-[(2R)-2-[(1R,3aS,4E,7aR)-4-{2-[(1Z,3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyl-octahydro-1H-inden-1-yl]propyl]-3-methylideneoxolan-2-one
IUPAC:(5S)-5-[(2R)-2-[(1R,3aS,4E,7aR)-4-{2-[(1Z,3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyl-octahydro-1H-inden-1-yl]propyl]-3-methylideneoxolan-2-one
InChI key:SAODSJHDCZTVAT-CZADFQNYSA-N

分子式:C27H38O4
分子量:426.597
氢键供体数 (HBD):2
氢键受体数 (HBA):3
LogP:4.1769886
SMILES:[H][C@@]12CC[C@H]([C@H](C)C[C@H]3CC(=C)C(=O)O3)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C
SMILES:[H][C@@]12CC[C@H]([C@H](C)C[C@H]3CC(=C)C(=O)O3)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C

TEI-9647 is a 1α,25-dihydroxy vitamin D3-26,23-lactone (1α,25-lactone) analog and is an effective VDR/vitamin D-responsive element (DRE)-mediated genomic actions antagonist.

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