FDA New API and Intermediates: Elobixibat (439087-18-0) & Key Intermediate 439088-16-1

  • FDA New API and Intermediates: Elobixibat (439087-18-0) & Key Intermediate 439088-16-1

FDA New API and Intermediates: Elobixibat (439087-18-0) & Key Intermediate 439088-16-1
(World's Largest Pharmaceutical Supplier)

  • CAS Number: 439087-18-0
  • Stock: 483g
  • Assay: 98.00%

Elobixibat, 439087-18-0

Elobixibat, CAS 439087-18-0, Stock 2kg, Assay 98.64%, White powder, Water 0.24%, Single Impurity 0.32%.


Elobixibat

Elobixibat, also known as AZD-7806, AJG-533 and A 3309, is an IBAT inhibitor under development for the treatment of chronic constipation and irritable bowel syndrome with constipation (IBS-C). It works by blocking the enterohepatic circulation of bile acids, increasing the bile acid concentration in the gut, which accelerates intestinal passage and softens the stool.


Product Details:

Name: Elobixibat

CAS#: 439087-18-0

Chemical Formula: C36H45N3O7S2

Exact Mass: 695.2699

Molecular Weight: 695.89

Elemental Analysis: C, 62.14; H, 6.52; N, 6.04; O, 16.09; S, 9.21


Specification:

Synonym: AZD-7806; AZD 7806; AZD7806; A 3309; A3309; A-3309; AJG-533; Elobixibat

IUPAC/Chemical Name: (R)-(2-(2-((3,3-dibutyl-7-(methylthio)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-8-yl)oxy)acetamido)-2-phenylacetyl)glycine

InChi Key: XFLQIRAKKLNXRQ-UUWRZZSWSA-N

InChi Code: InChI=1S/C36H45N3O7S2/c1-4-6-18-36(19-7-5-2)24-39(27-16-12-9-13-17-27)28-20-30(47-3)29(21-31(28)48(44,45)25-36)46-23-32(40)38-34(26-14-10-8-11-15-26)35(43)37-22-33(41)42/h8-17,20-21,34H,4-7,18-19,22-25H2,1-3H3,(H,37,43)(H,38,40)(H,41,42)/t34-/m1/s1

SMILES Code: O=C(O)CNC([C@@H](C1=CC=CC=C1)NC(COC2=C(SC)C=C(C3=C2)N(C4=CC=CC=C4)CC(CCCC)(CCCC)CS3(=O)=O)=O)=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, not in water

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