MedKoo Cat#: 573416 | Name: ACT-178882

Description:

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

ACT-178882 is a direct renin inhibitor.

Chemical Structure

ACT-178882
CAS#1007392-69-9

Theoretical Analysis

MedKoo Cat#: 573416

Name: ACT-178882

CAS#: 1007392-69-9

Chemical Formula: C33H38Cl3N3O4

Exact Mass: 645.1928

Molecular Weight: 647.03

Elemental Analysis: C, 61.26; H, 5.92; Cl, 16.44; N, 6.49; O, 9.89

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
ACT 178882, ACT-178882, MK-1597
IUPAC/Chemical Name
3-Piperidinecarboxamide, N-((2-chloro-5-(2-methoxyethyl)phenyl)methyl)-N-cyclopropyl-4-(6-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)-3-pyridinyl)-, (3R,4S)-
InChi Key
PGSRKJVMAOWDEC-SXOMAYOGSA-N
InChi Code
1S/C33H38Cl3N3O4/c1-21-15-29(35)32(30(36)16-21)43-14-13-42-31-8-4-23(18-38-31)26-9-11-37-19-27(26)33(40)39(25-5-6-25)20-24-17-22(10-12-41-2)3-7-28(24)34/h3-4,7-8,15-18,25-27,37H,5-6,9-14,19-20H2,1-2H3/t26-,27+/m1/s1
SMILES Code
COCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]3CNCC[C@@H]3c4ccc(OCCOc5c(Cl)cc(C)cc5Cl)nc4)c1
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
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 647.03 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: Dingemanse J, Nicolas L. Age and sex effects on the single- and multiple-dose safety and pharmacokinetics of the new renin inhibitor ACT-178882. Cardiovasc Ther. 2013 Oct;31(5):307-13. doi: 10.1111/1755-5922.12022. PubMed PMID: 23311732. 2: Dingemanse J, Nicolas L, Binkert C. Clinical pharmacology of single- and multiple-ascending doses of ACT-178882, a new direct renin inhibitor, and its pharmacokinetic interaction with food and midazolam. Fundam Clin Pharmacol. 2013 Dec;27(6):698-710. doi: 10.1111/j.1472-8206.2012.01060.x. Epub 2012 Jul 31. PubMed PMID: 22849770.