A-4250

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

MedKoo CAT#: 529210

CAS#: 501692-44-0

Description: A-4250 is an ileal bile acid transporter (IBAT) inhibitor potentially for the treatment of primary biliary cirrhosis


Price and Availability

Size
Price

Size
Price

Size
Price

A-4250 is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

img

Theoretical Analysis

MedKoo Cat#: 529210
Name: A-4250
CAS#: 501692-44-0
Chemical Formula: C37H48N4O8S2
Exact Mass: 740.2914
Molecular Weight: 740.93
Elemental Analysis: C, 59.98; H, 6.53; N, 7.56; O, 17.27; S, 8.65


Synonym: A-4250; A4250; A 4250

IUPAC/Chemical Name: (S)-2-((R)-2-(2-((3,3-dibutyl-7-(methylthio)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydrobenzo[f][1,2,5]thiadiazepin-8-yl)oxy)acetamido)-2-(4-hydroxyphenyl)acetamido)butanoic acid

InChi Key: XULSCZPZVQIMFM-IPZQJPLYSA-N

InChi Code: InChI=1S/C37H48N4O8S2/c1-5-8-19-37(20-9-6-2)24-41(26-13-11-10-12-14-26)29-21-31(50-4)30(22-32(29)51(47,48)40-37)49-23-33(43)39-34(25-15-17-27(42)18-16-25)35(44)38-28(7-3)36(45)46/h10-18,21-22,28,34,40,42H,5-9,19-20,23-24H2,1-4H3,(H,38,44)(H,39,43)(H,45,46)/t28-,34+/m0/s1

SMILES Code: CC[C@H](NC([C@H](NC(COC1=C(SC)C=C(C2=C1)N(C3=CC=CC=C3)CC(CCCC)(CCCC)NS2(=O)=O)=O)C4=CC=C(O)C=C4)=O)C(O)=O


Technical Data

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).

Harmonized System Code:
293490


References

1: Graffner H, Gillberg PG, Rikner L, Marschall HU. The ileal bile acid
transporter inhibitor A4250 decreases serum bile acids by interrupting the
enterohepatic circulation. Aliment Pharmacol Ther. 2016 Jan;43(2):303-10. doi:
10.1111/apt.13457. PubMed PMID: 26527417.

2: Baghdasaryan A, Fuchs CD, Österreicher CH, Lemberger UJ, Halilbasic E, Påhlman
I, Graffner H, Krones E, Fickert P, Wahlström A, Ståhlman M, Paumgartner G,
Marschall HU, Trauner M. Inhibition of intestinal bile acid absorption improves
cholestatic liver and bile duct injury in a mouse model of sclerosing
cholangitis. J Hepatol. 2016 Mar;64(3):674-81. doi: 10.1016/j.jhep.2015.10.024.
PubMed PMID: 26529078.