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MedKoo Cat#: 597961 | Name: Emd 52297

Description:

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

Emd 52297 is a renin inhibitor.

Chemical Structure

Emd 52297
Emd 52297
CAS#129049-51-0

Theoretical Analysis

MedKoo Cat#: 597961

Name: Emd 52297

CAS#: 129049-51-0

Chemical Formula: C39H59N11O7

Exact Mass: 793.4599

Molecular Weight: 793.97

Elemental Analysis: C, 59.00; H, 7.49; N, 19.41; O, 14.11

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
Emd 52297; Emd-52297; Emd52297;
IUPAC/Chemical 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 Key
LXFRBEWNYDBACO-UHFFFAOYSA-N
InChi Code
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)
SMILES Code
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
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
Shelf Life
>3 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
2934.99.03.00
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 793.97 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: 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.