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MedKoo Cat#: 597958 | Name: ES 6864

Description:

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

ES 6864 is an orally active renin inhibitor.

Chemical Structure

ES 6864
ES 6864
CAS#116326-39-7

Theoretical Analysis

MedKoo Cat#: 597958

Name: ES 6864

CAS#: 116326-39-7

Chemical Formula: C42H58N6O7S

Exact Mass: 790.4088

Molecular Weight: 791.02

Elemental Analysis: C, 63.77; H, 7.39; N, 10.62; O, 14.16; S, 4.05

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
ES 6864; ES-6864; ES6864;
IUPAC/Chemical Name
5-cyclohexyl-3-hydroxy-4-(2-(4-morpholino-2-(naphthalen-1-ylmethyl)-4-oxobutanamido)-3-(thiazol-4-yl)propanamido)-N-(2-morpholinoethyl)pentanamide
InChi Key
UACWUNAXAAUHDZ-UHFFFAOYSA-N
InChi Code
InChI=1S/C42H58N6O7S/c49-38(27-39(50)43-13-14-47-15-19-54-20-16-47)36(23-30-7-2-1-3-8-30)45-42(53)37(26-34-28-56-29-44-34)46-41(52)33(25-40(51)48-17-21-55-22-18-48)24-32-11-6-10-31-9-4-5-12-35(31)32/h4-6,9-12,28-30,33,36-38,49H,1-3,7-8,13-27H2,(H,43,50)(H,45,53)(H,46,52)
SMILES Code
O=C(N1CCOCC1)CC(C(NC(C(NC(C(O)CC(NCCN2CCOCC2)=O)CC3CCCCC3)=O)Cc4ncsc4)=O)Cc5c(cccc6)c6ccc5
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 791.02 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: Hiwada K, Kokubu T, Murakami E, Muneta S, Morisawa Y, Yabe Y, Koike H, Iijima Y. A highly potent and long-acting oral inhibitor of human renin. Hypertension. 1988 Jun;11(6 Pt 2):708-12. PubMed PMID: 3134306. 2: Muneta S. [In vitro and in vivo inhibition of renin by a thiazolylalanyl cyclostatine derivative]. Nihon Jinzo Gakkai Shi. 1989 Aug;31(8):865. Japanese. PubMed PMID: 2512401. 3: Hiwada K. [Clinical application of renin inhibitors in the treatment of hypertension]. Nihon Rinsho. 1989 Sep;47(9):2041-6. Japanese. PubMed PMID: 2687512.