Calcipotriol-[d4] - Isotope / BOC Sciences

General Information
Catalog: BLP-003495
Molecular Formula: C27H36D4O3
Molecular Weight: 416.62

General Information

Catalog: BLP-003495

Molecular Formula: C27H36D4O3

Molecular Weight: 416.62

Chemical Structure

Description	Calcipotriol-[d4], is the labelled analogue of Calcipotriol. Calcipotriol is a synthetic derivative of calcitriol, a form of vitamin D. It is used in the treatment of psoriasis. It is safe for long-term application in psoriatic skin conditions.
Synonyms	Calcipotriol D4
IUPAC Name	(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5-hydroxy-5-(2,2,3,3-tetradeuteriocyclopropyl)pent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Related CAS	112965-21-6 (unlabelled)
Canonical SMILES	CC(C=CC(C1CC1)O)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C
InChI	InChI=1S/C27H40O3/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/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,25-,26+,27-/m1/s1/i8D2,9D2
InChI Key	LWQQLNNNIPYSNX-DIBUCSFBSA-N
Purity	95% by HPLC; 98% atom D

Calcipotriol-[d4] is a labeled analog of calcipotriol used in various scientific and preclinical research applications. Here are some key applications of Calcipotriol-[d4]:

Pharmacokinetic Studies: Calcipotriol-[d4] is used in pharmacokinetic research to study the absorption, distribution, metabolism, and excretion (ADME) of calcipotriol. By tracking the labeled compound in biological systems, researchers can gain precise insights into its pharmacokinetic profile. This information is crucial for optimizing dosage regimens and improving therapeutic efficacy.

Mechanism of Action Studies: Using Calcipotriol-[d4], researchers can elucidate the mechanisms by which calcipotriol exerts its biological effects. By incorporating the labeled compound in cellular and molecular assays, scientists can track its interactions with target proteins and DNA. These studies help to better understand how calcipotriol modulates gene expression and cellular behavior.

Drug Metabolism Research: Calcipotriol-[d4] is valuable in studies involving drug metabolism and the identification of metabolic pathways. Researchers can use the labeled analog to trace metabolic products and intermediates. This aids in identifying any potential metabolites that could impact the safety and efficacy of the drug.

Clinical Research: In clinical research settings, Calcipotriol-[d4] can be used in bioequivalence studies to compare different formulations of calcipotriol. By assessing the pharmacokinetic parameters of the labeled analog, researchers can determine if new formulations perform similarly to existing ones. This is essential for ensuring the safety and effectiveness of new drug products.