BSH-IN-1 - ≥99% , CAS No.2553217-91-5

CAS: 2553217-91-5 Cat. No.: B651381 Molecular Weight: 408.59 PubChem CID: 145713829

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

BSH-IN-1 is a potent and covalent inhibitor of gut bacterial recombinant bile salt hydrolases ( BSH s) with IC 50 s of 108 nM and 427 nM for B. longum BSH (Gram positive) and B. theta BSH (Gram negative), respectively.

In Vitro

BSH-IN-1 (Compound 7) also inhibits BSH activity in growing cultures of Gram-negative ( B. theta VPI-5482, Bacteroides fragilis ATCC 25285, and Bacteroides vulgatus ATCC 8482) and Gram-positive ( Lactobacillus plantarum WCFS1, C. perfringens ATCC 13124, and Bifidobacterium adolescentis L2-32) bacteria. BSH-IN-1 (Compound 7) also is a potent BSH inhibitor in growing bacterial cultures with IC 50 s of 237 nM and 1070 nM for B. adolescentis (Gram positive) and B. theta (Gram negative), respectively. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

BSH-IN-1 (Compound 7; 10 mg/kg; a single dose; gavage) inhibits BSH activity in C57BL/6 mice and can be gut-restricted . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: C57BL/6 mice Dosage: 10 mg/kg Administration: Single gavage Result: Inhibited gut bacterial BSH activity and modulated the bile acid pool in vivo while not significantly affected the gut bacterial community.

Form:Solid

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

BSH-IN-1 is a potent and covalent inhibitor of gut bacterial recombinant bile salt hydrolases ( BSH s) with IC 50 s of 108 nM and 427 nM for B. longum BSH (Gram positive) and B. theta BSH (Gram negative), respectively.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC(CCC(=O)CF)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
• IUPAC Name: (5R)-5-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-fluorohexan-2-one
• InChIKey: XDVGNIBMZHDZLL-GDQMVUAZSA-N
• INCHI: 1S/C25H41FO3/c1-15(4-5-18(28)14-26)19-6-7-20-23-21(9-11-25(19,20)3)24(2)10-8-17(27)12-16(24)13-22(23)29/h15-17,19-23,27,29H,4-14H2,1-3H3/t15-,16+,17-,19-,20+,21+,22-,23+,24+,25-/m1/s1
• PubChem CID: 145713829
• Molecular Weight: 408.59

Chemical and Physical Properties

• Solubility: DMSO : 25 mg/mL (61.19 mM; ultrasonic and warming and heat to 80°C)