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CK-586

CAT: 0957-E4662-04Size: 1 gDry Ice: NoHazardous: No
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CAT#:0957-E4662-04Size:1 g
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Description
CK-586 (CK-4021586) is an inhibitor of cardiac myosin used to treat obstructive hypertrophic cardiomyopathy (oHCM) . It effectively reduces left ventricular outflow tract obstruction (LVOTO) in a dose-dependent manner.
CAS Number
2830607-59-3
Synonyms
CK-4021586
Target
Cardiac Myosin
Activity
Cytoskeletal Signaling
Molecular Formula
C21H25F2N3O3

Chemical Information

Ulacamten
CAS Number2830607-59-3
PubChem CID164921580
IUPAC Name5-[(3,4-difluorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carbaldehyde
Molecular FormulaC21H25F2N3O3
Molecular Weight405.4
XLogP2
Topological Polar Surface Area60.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity662
SMILES
CC1CCC(CC1)N2CC(=O)N(C3(C2=O)CN(C3)C=O)CC4=CC(=C(C=C4)F)F
InChI
InChI=1S/C21H25F2N3O3/c1-14-2-5-16(6-3-14)25-10-19(28)26(9-15-4-7-17(22)18(23)8-15)21(20(25)29)11-24(12-21)13-27/h4,7-8,13-14,16H,2-3,5-6,9-12H2,1H3
InChIKey
HLMGUFOCTBBSLK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ulacamten
CAS: 2830607-59-3
CID: 164921580
Formula: C21H25F2N3O3
MW: 405.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight405.4
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass405.18639799
Monoisotopic Mass405.18639799
Topological Polar Surface Area60.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity662
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes