CAS 1025216-57-2|Volixibat

Introduction：Basic information about CAS 1025216-57-2|Volixibat, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Volixibat BiologicalActivity
3. Chemical & Physical Properties
4. Synonyms

Common Name	Volixibat
CAS Number	1025216-57-2	Molecular Weight	805.954
Density	1.4±0.1 g/cm3	Boiling Point	/
Molecular Formula	C₃₈H₅₁N₃O₁₂S₂	Melting Point	/
MSDS	/	Flash Point	/

Names

Name	volixibat
Synonym	More Synonyms

Volixibat BiologicalActivity

Description	Volixibat (SHP626) is a highly selective, minimally absorbed, and competitive apical sodium-dependent bile acid transporter (ASBT) inhibitor. Volixibat has potential for treatment for non-alcoholic steatohepatitis (NASH)[1][2].
Related Catalog	Signaling Pathways >>Others >>OthersResearch Areas >>Metabolic Disease
In Vivo	Volixibat (SHP626) (5-30 mg/kg; food intake; daily for 24 weeks) improves metabolic aspects and components of non-alcoholic steatohepatitis in Ldlr-/-.Leiden mice[1]. Animal Model: Male Ldlr-/-.Leiden mice (high-fat diet, HFD)[1] Dosage: 5, 15, or 30 mg/kg Administration: Food intake; daily for 24 weeks Result: Significantly increased the total amount of bile acid in feces. Significantly attenuated the HFD-induced increase in hepatocyte hypertrophy, hepatic triglyceride and cholesteryl ester levels, and mesenteric white adipose tissue deposition at the highest dose. Non-alcoholic fatty liver disease activity score (NAS) was significantly lower in volixibat-treated mice than in the HFD controls.
References	[1]. Salic K, et al. Apical sodium-dependent bile acid transporter inhibition with volixibat improves metabolicaspects and components of non-alcoholic steatohepatitis in Ldlr-/-.Leiden mice. PLoS One. 2019 Jun 24;14(6):e0218459. [2]. Palmer M, et al. A randomised, double-blind, placebo-controlled phase 1 study of the safety, tolerability and pharmacodynamics of volixibat in overweight and obese but otherwise healthy adults: implications for treatment of non-alcoholic steatohepatitis. BMC Pharmacol Toxicol. 2018 Mar 16;19(1):10.

Chemical & Physical Properties

Density	1.4±0.1 g/cm3
Molecular Formula	C₃₈H₅₁N₃O₁₂S₂
Molecular Weight	805.954
Exact Mass	805.291443
LogP	5.35
Index of Refraction	1.651
InChIKey	ULVBLFBUTQMAGZ-RTNCXNSASA-N
SMILES	CCCCC1(CC)CS(=O)(=O)c2ccc(N(C)C)cc2C(c2cccc(NC(=O)NC3OC(COS(=O)(=O)O)C(O)C(OCc4ccccc4)C3O)c2)C1O

Synonyms

X2JZ0451H8

volixibat

3-O-Benzyl-N-({3-[(3S,4R,5R)-3-butyl-7-(dimethylamino)-3-ethyl-4-hydroxy-1,1-dioxido-2,3,4,5-tetrahydro-1-benzothiepin-5-yl]phenyl}carbamoyl)-6-O-sulfo-β-D-glucopyranosylamine

UNII:X2JZ0451H8

β-D-Glucopyranosylamine, N-[[[3-[(3S,4R,5R)-3-butyl-7-(dimethylamino)-3-ethyl-2,3,4,5-tetrahydro-4-hydroxy-1,1-dioxido-1-benzothiepin-5-yl]phenyl]amino]carbonyl]-3-O-(phenylmethyl)-, 6-(hydrogen su lfate)

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