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K-604 dihydrochloride

CAT: 0957-E0941-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-E0941-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
217094-32-1
Target
Acyltransferase
Applications
Metabolism
Molecular Formula
C23H30N6OS3.2ClH
Additionnal Information
K-604 dihydrochloride, a potent and selective inhibitor of Acyl-coenzyme A:cholesterol O-acyltransferase 1 (ACAT1), suppresses the development of atherosclerosis in an animal model without affecting plasma cholesterol levels.
Storage Conditions
3 years -20°C powder

Chemical Information

K-604 dihydrochloride
CAS Number217094-32-1
PubChem CID22272715
IUPAC Name2-[4-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide;dihydrochloride
Molecular FormulaC23H32Cl2N6OS3
Molecular Weight575.6
Topological Polar Surface Area153
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count35
Formal Charge0
Complexity623
SMILES
CC1=CC(=C(C(=N1)SC)NC(=O)CN2CCN(CC2)CCSC3=NC4=CC=CC=C4N3)SC.Cl.Cl
InChI
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
InChIKey
DEKWEGUBUYKTAV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of K-604 dihydrochloride
CAS: 217094-32-1
CID: 22272715
Formula: C23H32Cl2N6OS3
MW: 575.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight575.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass574.1176786
Monoisotopic Mass574.1176786
Topological Polar Surface Area153 Ų
Heavy Atom Count35
Formal Charge0
Complexity623
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5753356K-604 dihydrochloride
HY-100400A-01K-604 (dihydrochloride)
A21773-25K-604 dihydrochloride 25mg
A21773-2K-604 dihydrochloride 2mg
HY-100400AR-01K-604 (dihydrochloride) (Standard)
A21773-10K-604 dihydrochloride 10mg
A21773-100K-604 dihydrochloride 100mg
A21773-50K-604 dihydrochloride 50mg
A21773-5K-604 dihydrochloride 5mg
A21773-1K-604 dihydrochloride 1mg

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