Calcifediol monohydrate

• CAT Number: I004385
• CAS Number: 63283-36-3
• Molecular Formula: C27H46O3
• Molecular Weight: 418.65
• Purity: ≥95%
• Target: VD/VDR
• Solubility: 10 mM in DMSO
• Storage: Store at -20°C
• IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;hydrate
• InChI: InChI=1S/C27H44O2.H2O/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29;/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3;1H2/b21-11+,22-12-;/t20-,23+,24-,25+,27-;/m1./s1
• InChIKey: WRLFSJXJGJBFJQ-WPUCQFJDSA-N
• SMILES: CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C.O

Calcifediol monohydrate（Cat No.:I004385） has the effect of treating osteoporosis, the main circulating metabolite of vitamin D3, and is a competitive inhibitor with a Ki value of 3.9 μM. Calcidiol, the major circulating metabolite of vitamin D3, is a competitive inhibitor with an apparent Ki of 3.9 μM.

Reference

[1]. Kleinman LM, Letteri JM, Asad SN, Ellis KJ, Cohn SH. Effects of calcifediol on calcified tissue in uremia. Arch Intern Med. 1978 May 15;138 Spec No:864-5.
[2]. Recker R, Schoenfeld P, Letteri J, Slatopolsky E, Goldsmith R, Brickman A. The efficacy of calcifediol in renal osteodystrophy. Arch Intern Med. 1978 May 15;138 Spec No:857-63.
[3]. Teitelbaum SL, Bone JM, Stein PM, Gilden JJ, Bates M, Boisseau VC, Avioli LV. Calcifediol in chronic renal insufficiency. Skeletal response. JAMA. 1976 Jan 12;235(2):164-7.
[4]. Teitelbaum SL. Calcifediol (25-hydroxyvitamin D3) in the treatment of uremic bone disease. Ann Intern Med. 1981 Mar;94(3):404-5.
[5]. Langman CB, Mazur AT, Baron R, Norman ME. 25-hydroxyvitamin D3 (calcifediol) therapy of juvenile renal osteodystrophy: beneficial effect on linear growth velocity. J Pediatr. 1982 May;100(5):815-20.
[6]. BY J. W. BLUNT, YOKO TANAKA, AND H. F. DELUCA. THE BIOLOGICAL ACTIVITY OF 25-HYDROXYCHOLECALCIFEROL,A METABOLITE OF VITAMIN D3. PNAS December 1, 1968 vol. 61 no. 4 1503-1506