113082-99-8

Basic information

• Product Name: (5E)-Calcipotriene
• Synonyms: (5E)-Calcipotriene;(1alpha,3beta,5E,7E,22E,24S)-24-Cyclopropyl-9,10-Secochola-5,7,10(19),22-tetraene-1,3,24-triol;5,6-trans-Calcipotriol;PRI 2205;(1S,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,2E,4S)-4-Cyclopropyl-4-hydroxy-1-Methyl-2-buten-1-yl]octahydro-7a-Methyl-4H-inden-4-ylidene]ethylidene]-4-Methylene-1,3-cyclohexanediol;(1α,3β,5E,7E,22E,24S)-2;(1R,3S,E)-5-((E)-2-((1R,3aR,7aR)-1-((2R,5S,E)-5-cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-Methyldihydro-1H-inden-4(2H,5H,6H,7H,7aH)-ylidene)ethylidene)-4-Methylenecyclohexane-1,3-diol;Calcipotriol Impurity C
• CAS NO: 113082-99-8
• Molecular Formula: C₂₇H₄₀O₃
• Molecular Weight: 412.6047
• Product Categories: Chiral Reagents;Impurities;Intermediates & Fine Chemicals;Pharmaceuticals;Chiral Reagents, Impurities, Pharmaceuticals, Intermediates & Fine Chemicals
• Mol File: 113082-99-8.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 582.0±50.0 °C(Predicted)
• Appearance: /
• Density: 1.12
• PKA: 14.29±0.20(Predicted)
• CAS DataBase Reference: (5E)-Calcipotriene(CAS DataBase Reference)
• NIST Chemistry Reference: (5E)-Calcipotriene(113082-99-8)
• EPA Substance Registry System: (5E)-Calcipotriene(113082-99-8)

Safety Data

• Hazardous Substances Data: 113082-99-8(Hazardous Substances Data)

Usage

Chemical Properties

White to Off-White Solid

Uses

The trans-isomeric impurity of Calcipotriene (C144200) and a vitamin D3 analogue with antitumor effects.

Upstream product

• 934338-38-2 C₂₇H₄₀O₃ 
• 98-80-6 phenylboronic acid 
• 934338-30-4 C₃₃H₅₄O₃Si 

Downstream Products

• 112965-21-6 calcipotriene 

Relevant articles and documents

Method for preparing analogue of vitamin D

A method for preparing analogues of C1,C24-dihydroxy-vitamin D is disclosed. Especially the method for preparing calcipotriol and tacalcitol from a starting material of Vitamin D2 is disclosed here. Calcipotriol (compound 1(a)) and tacalcitol (compound 1(b)) can be synthesized by the method of the present invention. Moreover, only nine steps are needed for the synthesis of calcipotriol using the method. Likewise, only ten steps are needed for the synthesis of tacalcitol by the present method. Hence, the present method, with less process steps and higher yields, represents an improvement over the conventional methods.