Inecalcitol

Inecalcitol is a derivative of calcitriol (Cay-71820) and an agonist of the vitamin D receptor (VDR). It induces reporter gene expression in VDR-expressing COS-1 cells when used at a concentration of 1 nM. Inecalcitol induces differentiation of HL-60 leukemia and MG-63 osteosarcoma cells (EC50s = 6.2 and 0.18 nM, respectively) and reduces the proliferation of MCF-7 breast cancer cells (EC50 = 4.1 nM). It protects primary human keratinocytes against DNA damage induced by UVB irradiation in a concentration-dependent manner. Inecalcitol (100 nM) inhibits acetylcholine- or ATP-induced contractions of aortic rings isolated from spontaneously hypertensive rats. Unlike calcitriol, inecalcitol (80 µg/kg) does not increase serum calcium levels or decrease tibia calcium levels in mice.Formal Name: (1R,3R)-5-[(2E)-2-[(1R,3aR,7aR)-octahydro-1-[(1R)-5-hydroxy-1,5-dimethyl-3-hexyn-1-yl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-1,3-cyclohexanediol. CAS Number: 163217-09-2. Synonyms: TX 522, 19-nor-14-epi-23-yne-1,25-dihydroxy Vitamin D3. Molecular Formula: C26H40O3. Formula Weight: 400.6. Purity: >98%. Formulation: (Request formulation change), A solid. Solubility: DMSO: soluble. lambdamax: 245, 252, 262 nm. SMILES: O[C@H](C/1)C[C@H](O)CC1=C/C=C2[C@]3([H])[C@]([C@]([C@@H](CC#CC(C)(O)C)C)([H])CC3)(C)CCC/2. InChi Code: InChI=1S/C26H40O3/c1-18(7-5-13-25(2,3)29)23-11-12-24-20(8-6-14-26(23,24)4)10-9-19-15-21(27)17-22(28)16-19/h9-10,18,21-24,27-29H,6-8,11-12,14-17H2,1-4H3/b20-10+/t18-,21-,22-,23-,24-,26-/m1/s1. InChi Key: HHGRMHMXKPQNGF-WNSNRMDMSA-N.