264W94 | CAS#178961-24-5 | IBAT inhibitor

MedKoo Cat#: 122824 | Name: 264W94

Description:

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

264W94 is a IBAT inhibitor with IC50 = 180 nM.

Chemical Structure

264W94

CAS#178961-24-5

Theoretical Analysis

MedKoo Cat#: 122824

Name: 264W94

CAS#: 178961-24-5

Chemical Formula: C23H31NO4S

Exact Mass: 417.2000

Molecular Weight: 417.56

Elemental Analysis: C, 66.16; H, 7.48; N, 3.35; O, 15.33; S, 7.68

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

Bulk Inquiry

Related CAS #

No Data

Synonym

264W94; 8GYW8T88JI; CHEMBL332370

IUPAC/Chemical Name

(3R,5R)-3-butyl-3-ethyl-7,8-dimethoxy-5-phenyl-2,3,4,5-tetrahydrobenzo[f][1,4]thiazepine 1,1-dioxide

InChi Key

CKFWDLFFXXVSBJ-DHIUTWEWSA-N

InChi Code

InChI=1S/C23H31NO4S/c1-5-7-13-23(6-2)16-29(25,26)21-15-20(28-4)19(27-3)14-18(21)22(24-23)17-11-9-8-10-12-17/h8-12,14-15,22,24H,5-7,13,16H2,1-4H3/t22-,23-/m1/s1

SMILES Code

COC1=C(OC)C=C(C2=C1)[C@@H](C3=CC=CC=C3)N[C@](CC)(CCCC)CS2(=O)=O

Appearance

To be determined

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

To be determined

Shelf Life

>2 years if stored properly

Drug Formulation

To be determined

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 417.56 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.

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

1: Root C, Smith CD, Sundseth SS, Pink HM, Wilson JG, Lewis MC. Ileal bile acid transporter inhibition, CYP7A1 induction, and antilipemic action of 264W94. J Lipid Res. 2002 Aug;43(8):1320-30. PMID: 12177176. 2: Chen L, Yao X, Young A, McNulty J, Anderson D, Liu Y, Nystrom C, Croom D, Ross S, Collins J, Rajpal D, Hamlet K, Smith C, Gedulin B. Inhibition of apical sodium-dependent bile acid transporter as a novel treatment for diabetes. Am J Physiol Endocrinol Metab. 2012 Jan 1;302(1):E68-76. doi: 10.1152/ajpendo.00323.2011. Epub 2011 Sep 20. PMID: 21934041. 3: Saveleva EE, Tyutrina ES, Nakanishi T, Tamai I, Salmina AB. Ingibitory natriĭ-zavisimogo perenoschika zhelchnykh kislot (ASBT) kak perspektivnye lekarstvennye sredstva [The inhibitors of the apical sodium-dependent bile acid transporter (ASBT) as promising drugs]. Biomed Khim. 2020 May;66(3):185-195. Russian. doi: 10.18097/PBMC20206603185. PMID: 32588824. 4: Wu Y, Aquino CJ, Cowan DJ, Anderson DL, Ambroso JL, Bishop MJ, Boros EE, Chen L, Cunningham A, Dobbins RL, Feldman PL, Harston LT, Kaldor IW, Klein R, Liang X, McIntyre MS, Merrill CL, Patterson KM, Prescott JS, Ray JS, Roller SG, Yao X, Young A, Yuen J, Collins JL. Discovery of a highly potent, nonabsorbable apical sodium-dependent bile acid transporter inhibitor (GSK2330672) for treatment of type 2 diabetes. J Med Chem. 2013 Jun 27;56(12):5094-114. doi: 10.1021/jm400459m. Epub 2013 Jun 6. PMID: 23678871.