Falecalcitriol | CAS#83805-11-2

MedKoo Cat#: 326765 | Name: Falecalcitriol

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Falecalcitriol is an analog of calcitriol. It has a higher potency both in vivo and in vitro systems, and longer duration of action in vivo. Falecalcitriol may be potentially used for conventional vitamin D therapy-resistant secondary hyperparathyroidism in a continuous ambulatory peritoneal dialysis patient.

Chemical Structure

Falecalcitriol

CAS#83805-11-2

Theoretical Analysis

MedKoo Cat#: 326765

Name: Falecalcitriol

CAS#: 83805-11-2

Chemical Formula: C27H38F6O3

Exact Mass: 524.2725

Molecular Weight: 524.59

Elemental Analysis: C, 61.82; H, 7.30; F, 21.73; O, 9.15

Price and Availability

Size	Price	Availability	Quantity
1mg	USD 1,450.00

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Related CAS #

No Data

Synonym

Ro 23-4194; Ro-23-4194; Ro23-4194; ST 630; ST-630; ST630; Flocalcitriol; Hornel, Fulstan; Falecalcitriol.

IUPAC/Chemical Name

(1S,3R,Z)-5-(2-((1R,3aS,7aR,E)-7a-methyl-1-((R)-7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)heptan-2-yl)octahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol

InChi Key

XPYGGHVSFMUHLH-PSEHTZQNSA-N

InChi Code

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

SMILES Code

C[C@H](CCCC(C(F)(F)F)(O)C(F)(F)F)[C@H]([C@]1(CCC/2)C)CC[C@@]1([H])C2=C\C=C3C[C@H](O)C[C@@H](O)C\3=C

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO

Shelf Life

>2 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 524.59 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

1: Ito H, Ogata H, Yamamoto M, Takahashi K, Shishido K, Takahashi J, Taguchi S, Kinugasa E. Comparison of oral falecalcitriol and intravenous calcitriol in hemodialysis patients with secondary hyperparathyroidism: a randomized, crossover trial. Clin Nephrol. 2009 Jun;71(6):660-8. PubMed PMID: 19473635. 2: Tokunaga M, Tamura M, Kabashima N, Serino R, Shibata T, Matsumoto M, Miyamoto T, Miyazaki M, Furuno Y, Takeuchi M, Abe H, Okazaki M, Otsuji Y. Falecalcitriol for conventional vitamin D therapy-resistant secondary hyperparathyroidism in a continuous ambulatory peritoneal dialysis patient. Clin Nephrol. 2008 May;69(5):393-4. PubMed PMID: 18538106. 3: Iwao Y, Yamaguchi Y, Fujii K, Toba Y, Asada M, Nagano N, Yamamoto H, Hyoma K, Yamada S, Hirano H, Tone Y, Ohtani H, Saika Y, Fujii R. [Long-term suppressive effect of falecalcitriol on parathyroid hormone secretion in secondary hyperparathyroidism in hemodialysis patients]. Clin Calcium. 2006 May;16(5):847-51. Japanese. PubMed PMID: 16679628. 4: Morii H. [Falecalcitriol as a new therapeutic agent for secondary hyperparathyroidism]. Clin Calcium. 2005 Jan;15(1):29-33. Review. Japanese. PubMed PMID: 15632470. 5: Ohtsuka N, Urayama K. [Pharmacological action and clinical effects of falecalcitriol, a highly potent derivative of active vitamin D3]. Nihon Yakurigaku Zasshi. 2002 Dec;120(6):427-36. Review. Japanese. PubMed PMID: 12528474. 6: Komuro S, Sato M, Kanamaru H, Kaneko H, Nakatsuka I, Yoshitake A. In vivo and in vitro pharmacokinetics and metabolism studies of 26,26,26,27,27,27-F6-1,25(OH)2 vitamin D3 (Falecalcitriol) in rat: induction of vitamin D3-24-hydroxylase (CYP24) responsible for 23S-hydroxylation in target tissues and the drop in serum levels. Xenobiotica. 1999 Jun;29(6):603-13. PubMed PMID: 10426559. 7: Akiba T, Marumo F, Owada A, Kurihara S, Inoue A, Chida Y, Ando R, Shinoda T, Ishida Y, Ohashi Y. Controlled trial of falecalcitriol versus alfacalcidol in suppression of parathyroid hormone in hemodialysis patients with secondary hyperparathyroidism. Am J Kidney Dis. 1998 Aug;32(2):238-46. PubMed PMID: 9708607.