MedKoo Cat#: 464109 | Name: BSH-IN-1
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

BSH-IN-1 is a covalent inhibitor of bile salt hydrolases. It is selective for bile salt hydrolases over the farnesoid X receptor (FXR) and G protein-coupled bile acid activated receptor (GP-BAR) at 100 µM. BSH-IN-1 inhibits the bile salt hydrolases of the Gram-negative bacterium B. theta and the Gram-positive bacterium B. longum (IC50s = 427 and 108 nM, respectively). It also inhibits deconjugation of bile acids in a variety of bacteria and in resuspended mouse feces. Oral administration of BSH-IN-1 (10 mg/kg) decreases bile salt hydrolase activity and deconjugated bile acid levels in feces in mice.

Chemical Structure

BSH-IN-1
BSH-IN-1
CAS#2553217-91-5

Theoretical Analysis

MedKoo Cat#: 464109

Name: BSH-IN-1

CAS#: 2553217-91-5

Chemical Formula: C25H41FO3

Exact Mass: 408.3040

Molecular Weight: 408.60

Elemental Analysis: C, 73.49; H, 10.11; F, 4.65; O, 11.75

Price and Availability

Size Price Availability Quantity
1mg USD 350.00 2 Weeks
5mg USD 750.00 2 Weeks
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Related CAS #
No Data
Synonym
BSH-IN-1; BSH IN-1; BSH-IN 1; BSH IN 1;
IUPAC/Chemical Name
(R)-5-((3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-1-fluorohexan-2-one
InChi Key
XDVGNIBMZHDZLL-GDQMVUAZSA-N
InChi Code
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
SMILES Code
FCC(CC[C@H]([C@]1(CC[C@]2([C@@]3([C@@H](C[C@@]4(C[C@@H](CC[C@@]4([C@]3(CC[C@@]21C)[H])C)O)[H])O)[H])[H])[H])C)=O
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
Solvent mg/mL mM
Solubility
Soluble in DMSO 0.0 100.00
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 408.60 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL