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MedKoo Cat#: 466180 | Name: EMD527040

Description:

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

EMD527040 is a novel potent and highly selective αvβ6 antagonist.

Chemical Structure

EMD527040
EMD527040
CAS#851333-14-7

Theoretical Analysis

MedKoo Cat#: 466180

Name: EMD527040

CAS#: 851333-14-7

Chemical Formula: C29H32Cl2N4O5

Exact Mass: 586.1750

Molecular Weight: 587.50

Elemental Analysis: C, 59.29; H, 5.49; Cl, 12.07; N, 9.54; O, 13.62

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 #
No Data
Synonym
EMD527040; EMD 527040; EMD-527040;
IUPAC/Chemical Name
3-((S)-3-(benzyloxy)-2-(5-(pyridin-2-ylamino)pentanamido)propanamido)-3-(3,5-dichlorophenyl)propanoic acid
InChi Key
JHJAHOCSWUTJGR-BBMPLOMVSA-N
InChi Code
InChI=1S/C29H32Cl2N4O5/c30-22-14-21(15-23(31)16-22)24(17-28(37)38)35-29(39)25(19-40-18-20-8-2-1-3-9-20)34-27(36)11-5-7-13-33-26-10-4-6-12-32-26/h1-4,6,8-10,12,14-16,24-25H,5,7,11,13,17-19H2,(H,32,33)(H,34,36)(H,35,39)(H,37,38)/t24?,25-/m0/s1
SMILES Code
O=C(O)CC(NC([C@@H](NC(CCCCNC1=NC=CC=C1)=O)COCC2=CC=CC=C2)=O)C3=CC(Cl)=CC(Cl)=C3
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 587.50 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
1: Patsenker E, Popov Y, Stickel F, Jonczyk A, Goodman SL, Schuppan D. Inhibition of integrin alphavbeta6 on cholangiocytes blocks transforming growth factor-beta activation and retards biliary fibrosis progression. Gastroenterology. 2008 Aug;135(2):660-70. doi: 10.1053/j.gastro.2008.04.009. Epub 2008 Apr 16. PMID: 18538673; PMCID: PMC3505071. 2: Popov Y, Patsenker E, Stickel F, Zaks J, Bhaskar KR, Niedobitek G, Kolb A, Friess H, Schuppan D. Integrin alphavbeta6 is a marker of the progression of biliary and portal liver fibrosis and a novel target for antifibrotic therapies. J Hepatol. 2008 Mar;48(3):453-64. doi: 10.1016/j.jhep.2007.11.021. Epub 2008 Jan 14. PMID: 18221819.