CAS 1132662-08-8|Capecitabine-d11

Introduction：Basic information about CAS 1132662-08-8|Capecitabine-d11, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Capecitabine-d11 BiologicalActivity
3. Chemical & Physical Properties
4. Synonyms

Common Name	Capecitabine-d11
CAS Number	1132662-08-8	Molecular Weight	370.418
Density	1.5±0.1 g/cm3	Boiling Point	/
Molecular Formula	C₁₅H₁₁D₁₁FN₃O₆	Melting Point	/
MSDS	/	Flash Point	/

Names

Name	Capecitabine-d11
Synonym	More Synonyms

Capecitabine-d11 BiologicalActivity

Description	Capecitabine-d11 is the deuterium labeled Capecitabine. Capecitabine is an oral prodrug that is converted to its active metabolite, 5-FU, by thymidine phosphorylase[1][2].
Related Catalog	Signaling Pathways >>Apoptosis >>ApoptosisResearch Areas >>CancerSignaling Pathways >>Cell Cycle/DNA Damage >>DNA/RNA SynthesisSignaling Pathways >>Cell Cycle/DNA Damage >>Nucleoside Antimetabolite/Analog
In Vitro	Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1].
References	[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216. [2]. PharmD CM, et al. Capecitabine: A review. Clinical Therapeutics. 2005 Jan; 27(1): 23-44. [3]. Guichard SM, et al. Gene expression predicts differential capecitabine metabolism, impacting on both pharmacokinetics and antitumour activity. Eur J Cancer. 2008 Jan;44(2):310-7.

Chemical & Physical Properties

Density	1.5±0.1 g/cm3
Molecular Formula	C₁₅H₁₁D₁₁FN₃O₆
Molecular Weight	370.418
Exact Mass	370.218323
PSA	126.40000
LogP	0.97
Index of Refraction	1.600
InChIKey	GAGWJHPBXLXJQN-XSFNBKHLSA-N
SMILES	CCCCCOC(=O)Nc1nc(=O)n(C2OC(C)C(O)C2O)cc1F

Synonyms

5'-Deoxy-5-fluoro-N-{[(H)pentyloxy]carbonyl}cytidine

Cytidine, 5'-deoxy-5-fluoro-N-[(pentyl-d-oxy)carbonyl]-

1,1,2,2,3,3,4,4,5,5,5-undecadeuteriopentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate

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