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CK-963

CAT: 0013-GTR19235713-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19235713-02Size:50 mg
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Description
CK-963 is a small molecule activator of cardiac troponin C (cTnC) with a K i of 11.5 μM. It has been shown to enhance cardiac contractility in Sprague-Dawley rats, making it a useful research tool for studying heart failure and inotropic mechanisms in both in vitro and in vivo models.
CAS Number
2851991-63-2
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
O (CCN1CCOCC1) C2=C (S (NC=3C=CC (=NC3) N4C[C@H] (C) C[C@@H] (C) C4) (=O) =O) C=C5C (=C2) NC (C) =NC5=O
Molecular Formula
C27H36N6O5S
Molecular Weight
556.68
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]-2-methyl-7-(2-morpholin-4-ylethoxy)-4-oxo-3H-quinazoline-6-sulfonamide
CAS Number2851991-63-2
PubChem CID166007476
IUPAC NameN-[6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]-2-methyl-7-(2-morpholin-4-ylethoxy)-4-oxo-3H-quinazoline-6-sulfonamide
Molecular FormulaC27H36N6O5S
Molecular Weight556.7
XLogP2
Topological Polar Surface Area134
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count39
Formal Charge0
Complexity974
SMILES
C[C@@H]1C[C@H](CN(C1)C2=NC=C(C=C2)NS(=O)(=O)C3=C(C=C4C(=C3)C(=O)NC(=N4)C)OCCN5CCOCC5)C
InChI
InChI=1S/C27H36N6O5S/c1-18-12-19(2)17-33(16-18)26-5-4-21(15-28-26)31-39(35,36)25-13-22-23(29-20(3)30-27(22)34)14-24(25)38-11-8-32-6-9-37-10-7-32/h4-5,13-15,18-19,31H,6-12,16-17H2,1-3H3,(H,29,30,34)/t18-,19-/m1/s1
InChIKey
PWDGOAJDNRTIMX-RTBURBONSA-N
Chemical Structure
2D Structure
2D structure of N-[6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]-2-methyl-7-(2-morpholin-4-ylethoxy)-4-oxo-3H-quinazoline-6-sulfonamide
CAS: 2851991-63-2
CID: 166007476
Formula: C27H36N6O5S
MW: 556.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight556.7
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass556.24678944
Monoisotopic Mass556.24678944
Topological Polar Surface Area134 Ų
Heavy Atom Count39
Formal Charge0
Complexity974
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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