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Home Other Building Blocks Falecalcitriol

Falecalcitriol

CAS No.:
83805-11-2
Catalog Number:
AG00G2GO
Molecular Formula:
C27H38F6O3
Molecular Weight:
524.5792
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
99%
1 week
United States
$1523
- +
Product Description
Catalog Number:
AG00G2GO
Chemical Name:
Falecalcitriol
CAS Number:
83805-11-2
Molecular Formula:
C27H38F6O3
Molecular Weight:
524.5792
MDL Number:
MFCD00870595
IUPAC Name:
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
InChI:
InChI=1S/C27H38F6O3/c1-16(6-4-13-25(36,26(28,29)30)27(31,32)33)21-10-11-22-18(7-5-12-24(21,22)3)8-9-19-14-20(34)15-23(35)17(19)2/h8-9,16,20-23,34-36H,2,4-7,10-15H2,1,3H3/b18-8+,19-9-/t16-,20-,21-,22+,23+,24-/m1/s1
InChI Key:
XPYGGHVSFMUHLH-UUSULHAXSA-N
SMILES:
O[C@H]1C[C@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](CCCC(C(F)(F)F)(C(F)(F)F)O)C)C)/C1
UNII:
G70A8514T8
Properties
Complexity:
860  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
2  
Exact Mass:
524.273g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
524.588g/mol
Monoisotopic Mass:
524.273g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6  
Literature
Title Journal
Comparison of oral falecalcitriol and intravenous calcitriol in hemodialysis patients with secondary hyperparathyroidism: a randomized, crossover trial. Clinical nephrology 20090601
Vitamin D receptor activators. The International journal of artificial organs 20090201
Falecalcitriol for conventional vitamin D therapy-resistant secondary hyperparathyroidism in a continuous ambulatory peritoneal dialysis patient. Clinical nephrology 20080501
[Long-term suppressive effect of falecalcitriol on parathyroid hormone secretion in secondary hyperparathyroidism in hemodialysis patients]. Clinical calcium 20060501
Enhanced coactivator binding and transcriptional activation of mutant vitamin D receptors from patients with hereditary 1,25-dihydroxyvitamin D-resistant rickets by phosphorylation and vitamin D analogs. Journal of bone and mineral research : the official journal of the American Society for Bone and Mineral Research 20050901
[Falecalcitriol as a new therapeutic agent for secondary hyperparathyroidism]. Clinical calcium 20050101
[The trend in the development of the active vitamin D3 and its analogues]. Nihon rinsho. Japanese journal of clinical medicine 20040501
Disposition and metabolism of F6-1alpha,25(OH)2 vitamin D3 and 1alpha,25(OH)2 vitamin D3 in the parathyroid glands of rats dosed with tritium-labeled compounds. Drug metabolism and disposition: the biological fate of chemicals 20030801
[Pharmacological action and clinical effects of falecalcitriol, a highly potent derivative of active vitamin D3]. Nihon yakurigaku zasshi. Folia pharmacologica Japonica 20021201
A highly potent 26,27-Hexafluoro-1a,25-dihydroxyvitamin D3 on calcification in SV40-transformed human fetal osteoblastic cells. Calcified tissue international 20020601
Rationale for use and clinical responsiveness of hexafluoro-1,25-dihydroxyvitamin D3 for the treatment of plaque psoriasis: a pilot study. The British journal of dermatology 20010301
Synthesis and biological evaluations of A-ring isomers of 26,26,26,27,27,27-hexafluoro-1,25-dihydroxyvitamin D3. Bioorganic & medicinal chemistry 20000801
Properties