Emd 52297

• CAT Number: I026816
• CAS Number: 129049-51-0
• Molecular Formula: C39H59N11O7
• Molecular Weight: 793.97
• Purity: 98%
• Synonyms: Emd 52297; Emd-52297; Emd52297
• Solubility: Soluble in DMSO
• Appearance: Solid powder
• Storage: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
• IUPAC Name: tert-butyl (12-((1H-imidazol-5-yl)methyl)-4-(sec-butyl)-9-(cyclohexylmethyl)-8-hydroxy-3,6,11,14-tetraoxo-16-phenyl-1-(2H-tetrazol-2-yl)-2,5,10,13-tetraazahexadecan-15-yl)carbamate
• InChI: 1S/C39H59N11O7/c1-6-25(2)34(37(55)42-24-50-44-23-43-49-50)48-33(52)20-32(51)29(17-26-13-9-7-10-14-26)45-36(54)31(19-28-21-40-22-41-28)46-35(53)30(18-27-15-11-8-12-16-27)47-38(56)57-39(3,4)5/h8,11-12,15-16,21-23,25-26,29-32,34,51H,6-7,9-10,13-14,17-20,24H2,1-5H3,(H,40,41)(H,42,55)(H,45,54)(H,46,53)(H,47,56)(H,48,52)
• InChIKey: LXFRBEWNYDBACO-UHFFFAOYSA-N
• SMILES: CCC(C(NC(CC(O)C(NC(C(NC(C(NC(OC(C)(C)C)=O)Cc1ccccc1)=O)Cc2[nH]cnc2)=O)CC3CCCCC3)=O)C(NCn4nncn4)=O)C

Emd 52297 is a renin inhibitor.

Reference

1: Fitzpatrick MA, Rademaker MT, Frampton CM, Charles CJ, Yandle TG, Espiner EA, Ikram H. Hemodynamic and hormonal effects of renin inhibition in ovine heart failure. Am J Physiol. 1990 Jun;258(6 Pt 2):H1625-31. PubMed PMID: 2193544.
2: Fitzpatrick MA, Rademaker MT, Charles CJ, Yandle TG, Espiner EA, Ikram H, Nussberger J. Comparison of the effect of renin inhibition and angiotensin-converting enzyme inhibition in ovine heart failure. J Cardiovasc Pharmacol. 1992 Feb;19(2):169-75. PubMed PMID: 1376784.