K-604 HCl
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MedKoo CAT#: 555373

CAS#: 217094-32-1 (HCl)

Description: K-604 is a potent and selective acyl-CoA:cholesterol acyltransferase 1 (ACAT-1) inhibitor. K-604 inhibits against acyl-coenzyme A (acyl-CoA):cholesterol O-acyltransferase-1 (ACAT1, SOAT1) activitiy in a selective (IC50 = 450 nM vs. 102.85 μ M against human ACAT1 and ACAT2, respectively) and acyl-CoA-competitive (Ki = 378 nM against oleoyl-coA) manner.


Chemical Structure

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K-604 HCl
CAS# 217094-32-1 (HCl)

Theoretical Analysis

MedKoo Cat#: 555373
Name: K-604 HCl
CAS#: 217094-32-1 (HCl)
Chemical Formula: C23H32Cl2N6OS3
Exact Mass:
Molecular Weight: 575.63
Elemental Analysis: C, 47.99; H, 5.60; Cl, 12.32; N, 14.60; O, 2.78; S, 16.71

Price and Availability

Size Price Availability Quantity
5.0mg USD 275.0 2 Weeks
25.0mg USD 765.0 2 Weeks
50.0mg USD 1350.0 2 Weeks
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Related CAS #: 217094-32-1 (HCl)   561023-90-3 (free base)  

Synonym: K-604 HCl; K-604 Hydrochloride; K-604; K604; K 604;

IUPAC/Chemical Name: : 4-[2-(1H-Benzimidazol-2-ylthio)ethyl]-N-[6-methyl-2,4-bis(methylthio)-3-pyridinyl]-1-piperazineacetamide dihydrochloride

InChi Key: DEKWEGUBUYKTAV-UHFFFAOYSA-N

InChi Code: InChI=1S/C23H30N6OS3.2ClH/c1-16-14-19(31-2)21(22(24-16)32-3)27-20(30)15-29-10-8-28(9-11-29)12-13-33-23-25-17-6-4-5-7-18(17)26-23;;/h4-7,14H,8-13,15H2,1-3H3,(H,25,26)(H,27,30);2*1H

SMILES Code: O=C(NC1=C(SC)C=C(C)N=C1SC)CN2CCN(CCSC3=NC4=CC=CC=C4N3)CC2.[H]Cl.[H]Cl

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

Preparing Stock Solutions

The following data is based on the product molecular weight 575.63 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

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1: Shibuya K, Kawamine K, Ozaki C, Ohgiya T, Edano T, Yoshinaka Y, Tsunenari Y. Discovery of Clinical Candidate 2-(4-(2-((1 H-Benzo[ d]imidazol-2-yl)thio)ethyl)piperazin-1-yl)- N-(6-methyl-2,4-bis(methylthio)pyridin-3-yl)acetamide Hydrochloride [K-604], an Aqueous-Soluble Acyl-CoA:Cholesterol O-Acyltransferase-1 Inhibitor. J Med Chem. 2018 Nov 29. doi: 10.1021/acs.jmedchem.8b01256. [Epub ahead of print] PubMed PMID: 30433781.

2: Shibuya Y, Niu Z, Bryleva EY, Harris BT, Murphy SR, Kheirollah A, Bowen ZD, Chang CCY, Chang TY. Acyl-coenzyme A:cholesterol acyltransferase 1 blockage enhances autophagy in the neurons of triple transgenic Alzheimer's disease mouse and reduces human P301L-tau content at the presymptomatic stage. Neurobiol Aging. 2015 Jul;36(7):2248-2259. doi: 10.1016/j.neurobiolaging.2015.04.002. Epub 2015 Apr 7. PubMed PMID: 25930235; PubMed Central PMCID: PMC4457653.

3: Yoshinaka Y, Shibata H, Kobayashi H, Kuriyama H, Shibuya K, Tanabe S, Watanabe T, Miyazaki A. A selective ACAT-1 inhibitor, K-604, stimulates collagen production in cultured smooth muscle cells and alters plaque phenotype in apolipoprotein E-knockout mice. Atherosclerosis. 2010 Nov;213(1):85-91. doi: 10.1016/j.atherosclerosis.2010.08.048. Epub 2010 Aug 19. PubMed PMID: 20843517.

4: Hongo S, Watanabe T, Arita S, Kanome T, Kageyama H, Shioda S, Miyazaki A. Leptin modulates ACAT1 expression and cholesterol efflux from human macrophages. Am J Physiol Endocrinol Metab. 2009 Aug;297(2):E474-82. doi: 10.1152/ajpendo.90369.2008. PubMed PMID: 19625677.

5: Chen L, Lafond J, Pelletier RM. A novel technical approach for the measurement of individual ACAT-1 and ACAT-2 enzymatic activity in the testis. Methods Mol Biol. 2009;550:169-77. doi: 10.1007/978-1-60327-009-0_10. PubMed PMID: 19495703.

6: Ikenoya M, Yoshinaka Y, Kobayashi H, Kawamine K, Shibuya K, Sato F, Sawanobori K, Watanabe T, Miyazaki A. A selective ACAT-1 inhibitor, K-604, suppresses fatty streak lesions in fat-fed hamsters without affecting plasma cholesterol levels. Atherosclerosis. 2007 Apr;191(2):290-7. Epub 2006 Jul 3. PubMed PMID: 16820149.