MedKoo Cat#: 577731 | Name: Bexotegrast HCl

Description:

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

Bexotegrast, also known as PLN-74809, is a small-molecule, dual selective inhibitor of αVβ1 / αVβ6 for idiopathic pulmonary fibrosis (IPF) and primary sclerosing cholangitis (PSC). These integrins cause upstream activation of TGF-β1 in actively fibrotic tissue. Inhibition of these integrins will block TGF-β1 activation, thereby preventing the growth of fibrotic tissue within the lung and bile ducts.

Chemical Structure

Bexotegrast HCl
Bexotegrast HCl
CAS#2775365-40-5 (HCl)

Theoretical Analysis

MedKoo Cat#: 577731

Name: Bexotegrast HCl

CAS#: 2775365-40-5 (HCl)

Chemical Formula: C27H38Cl2N6O3

Exact Mass: 492.2849

Molecular Weight: 565.54

Elemental Analysis: C, 57.34; H, 6.77; Cl, 12.54; N, 14.86; O, 8.49

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.
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Related CAS #
2376264-69-4 (R-isomer) 2376257-44-0 (free base) 2775365-40-5 (HCl) 2775365-33-6 (fumarate) 2775365-31-4 (phosphate)
Synonym
Bexotegrast HCl; Bexotegrast hydrochloride; PLN-74809; PLN 74809; PLN74809;
IUPAC/Chemical Name
(2S)-4-{(2-methoxyethyl)[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino}-2-[(quinazolin-4-yl)amino]butanoic acid dihydrochloride
InChi Key
VKZGWNHLIIVREO-ASMAMLKCSA-N
InChi Code
InChI=1S/C27H36N6O3.2ClH/c1-36-18-17-33(15-5-4-8-21-12-11-20-7-6-14-28-25(20)31-21)16-13-24(27(34)35)32-26-22-9-2-3-10-23(22)29-19-30-26;;/h2-3,9-12,19,24H,4-8,13-18H2,1H3,(H,28,31)(H,34,35)(H,29,30,32);2*1H/t24-;;/m0../s1
SMILES Code
O=C(O)[C@@H](NC1=C2C=CC=CC2=NC=N1)CCN(CCOC)CCCCC3=NC4=C(CCCN4)C=C3.[H]Cl.[H]Cl
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
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

Preparing Stock Solutions

The following data is based on the product molecular weight 565.54 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