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SAR-020106

CAT: 0957-S7740-02Size: 25 mgDry Ice: YesHazardous: No
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CAT#:0957-S7740-02Size:25 mg
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Description
SAR-020106 is an ATP-competitive, potent, and selective CHK1 inhibitor with an IC50 of 13.3 nM.
CAS Number
1184843-57-9
Target
Chk
Activity
Cell Cycle
Molecular Formula
C19H19ClN6O
Storage Conditions
2 years -80 in solvent

Chemical Information

Sar-020106

a CHK1 inhibitor; structure in first source

CAS Number1184843-57-9
PubChem CID44203948
IUPAC Name5-[(8-chloroisoquinolin-3-yl)amino]-3-[(2R)-1-(dimethylamino)propan-2-yl]oxypyrazine-2-carbonitrile
Molecular FormulaC19H19ClN6O
Molecular Weight382.8
XLogP3.6
Topological Polar Surface Area87
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity526
SMILES
C[C@H](CN(C)C)OC1=NC(=CN=C1C#N)NC2=NC=C3C(=C2)C=CC=C3Cl
InChI
InChI=1S/C19H19ClN6O/c1-12(11-26(2)3)27-19-16(8-21)22-10-18(25-19)24-17-7-13-5-4-6-15(20)14(13)9-23-17/h4-7,9-10,12H,11H2,1-3H3,(H,23,24,25)/t12-/m1/s1
InChIKey
SRBJWIBAMIKCMV-GFCCVEGCSA-N
Chemical Structure
2D Structure
2D structure of Sar-020106
CAS: 1184843-57-9
CID: 44203948
Formula: C19H19ClN6O
MW: 382.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight382.8
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass382.1308869
Monoisotopic Mass382.1308869
Topological Polar Surface Area87 Ų
Heavy Atom Count27
Formal Charge0
Complexity526
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes