C4369

Calcipotriol hydrate

≥98% (HPLC), powder, Vitamin D3 analog

• Synonym(s): (5Z,7E,22E,24S)-24-Cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1alpha,3beta,24-triol, Calcipotriene
• Empirical Formula (Hill Notation): C₂₇H₄₀O₃ · xH₂O
• CAS Number: 112965-21-6
• Molecular Weight: 412.60 (anhydrous basis)
• MDL number: MFCD10567086
• UNSPSC Code: 12352200
• PubChem Substance ID: 329775060
• NACRES: NA.77

Properties

• product name: Calcipotriol hydrate, ≥98% (HPLC)
• Assay: ≥98% (HPLC)
• form: powder
• solubility: DMSO: 15 mg/mL, clear
• storage temp.: room temp
• SMILES string: O.C[C@H](\C=C\[C@@H](O)C1CC1)C2CCC3\C(CCC[C@]23C)=C\C=C4\C[C@@H](O)C[C@H](O)C4=C
• InChI: 1S/C27H40O3.H2O/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2;/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3;1H2/b13-6+,19-7+,21-10-;/t17-,22-,23-,24+,25-,26+,27-;/m1./s1
• InChI key: XBKHACNRWFKJNC-MANNPBRJSA-N

Description

Biochem/physiol Actions

Calcipotriol, a synthetic derivative of calcitriol or Vitamin D, is used in the treatment of psoriasis and marketed under the trade name Dovonex. It has comparable affinity with calcitriol (Vit. D) for the Vitamin D receptor (VDR), while being less than 1% as active as the calcitriol in regulating calcium metabolism. VDR belongs to the steroid/thyroid receptor superfamily, and is found on the cells of many different tissues including the thyroid, bone, kindney, and T cells of the immune system. Binding of calcipotriol to the VDR modulates the T cells gene transcription of cell differentiation and proliferation-related genes.

Safety Information

• Pictograms: GHS06,GHS08
• Signal Word: Danger
• Hazard Statements: H300 + H310,H317,H319,H361fd,H372
• Precautionary Statements: P202 - P264 - P280 - P301 + P310 - P302 + P352 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 1 Dermal - Acute Tox. 2 Oral - Eye Irrit. 2 - Repr. 2 - Skin Sens. 1B - STOT RE 1
• Storage Class Code: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves