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CaMKII-IN-1

CAT: 1410-M10773-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M10773-01Size:2 mg
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Description
A potent and highly selective CaMKII inhibitor with IC50 of 63 nM.
CAS Number
1208123-85-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
548.0988
Molecular Formula
C29H30ClN5O2S
Notes
Research use only, not for human use.
Receptor
CaMK

Chemical Information

N-[6-benzyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-chloro-2-methylbenzenesulfonamide
CAS Number1208123-85-6
PubChem CID50898538
IUPAC NameN-[6-benzyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-chloro-2-methylbenzenesulfonamide
Molecular FormulaC29H30ClN5O2S
Molecular Weight548.1
XLogP5.7
Topological Polar Surface Area95.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count38
Formal Charge0
Complexity829
SMILES
CC1=C(C=CC=C1Cl)S(=O)(=O)NC2=NC(=NC3=C2CN(CC3)CC4=CC=CC=C4)NCCC5=CC=CC=C5
InChI
InChI=1S/C29H30ClN5O2S/c1-21-25(30)13-8-14-27(21)38(36,37)34-28-24-20-35(19-23-11-6-3-7-12-23)18-16-26(24)32-29(33-28)31-17-15-22-9-4-2-5-10-22/h2-14H,15-20H2,1H3,(H2,31,32,33,34)
InChIKey
LGUUETDTMQTHML-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[6-benzyl-2-(2-phenylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-3-chloro-2-methylbenzenesulfonamide
CAS: 1208123-85-6
CID: 50898538
Formula: C29H30ClN5O2S
MW: 548.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight548.1
XLogP35.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass547.1808741
Monoisotopic Mass547.1808741
Topological Polar Surface Area95.6 Ų
Heavy Atom Count38
Formal Charge0
Complexity829
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

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