WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H466180
CAS#: 851333-14-7
Description: EMD527040 is a novel potent and highly selective αvβ6 antagonist.
Hodoodo Cat#: H466180
Name: EMD527040
CAS#: 851333-14-7
Chemical Formula: C29H32Cl2N4O5
Exact Mass: 586.18
Molecular Weight: 587.498
Elemental Analysis: C, 59.29; H, 5.49; Cl, 12.07; N, 9.54; O, 13.62
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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:
Biological target: | |
In vitro activity: | |
In vivo activity: |
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.
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 |
Formulation protocol: | |
In vitro protocol: | |
In vivo protocol: |
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.