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CHIR-124

CAT: 0013-GTR19162264-04Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19162264-04Size:1 g
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Description
CHIR-124 is a potent, selective Chk1 inhibitor with in vitro IC50 of 0.3 nM, 2,000-fold selectivity over Chk2; displays 500- to 5,000-fold less active against other cell cycle kinases, such as CDK2/cyclin A , Cdc2/cyclin B, and CDK4/cyclin D; also potently inhibits PDGFR and FLT3 with IC50s of 6.6 nM and 5.8 nM; interacts synergistically with topoisomerase poisons (e.g., camptothecin or SN-38) in causing growth inhibition in several p53-mutant solid tumor cell lines, abrogates the SN-38-induced S and G2-M checkpoints and potentiates apoptosis in MDA-MD-435 breast cancer cells, also restores the level of cdc25A protein; potentiates the growth inhibitory effects of irinotecan in breast cancer xenograft models.
CAS Number
405168-58-3
Product Name Alternative
CHIR124 | CHIR 124
Purity
>98% (HPLC)
Solubility
DMSO: 14 mg/mL
Smiles
O=C1NC2=C (C=C (Cl) C=C2) C (N[C@@H]3C[N@]4CC[C@]3 ([H]) CC4) =C1C5=NC6=CC=CC=C6N5
Molecular Formula
C23H22ClN5O
Molecular Weight
419.91
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
2 (1H) -Quinolinone, 4-[ (3S) -1-azabicyclo[2.2.2]oct-3-ylamino]-3- (1H-benzimidazol-2-yl) -6-chloro-

Chemical Information

Chir-124

CHIR-124 is a potent inhibitor of Chk1 that potentiates the cytotoxicity of topoisomerase I poisons in vitro and in vivo.

CAS Number405168-58-3
PubChem CID135399748
IUPAC Name4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-3-(1H-benzimidazol-2-yl)-6-chloro-1H-quinolin-2-one
Molecular FormulaC23H22ClN5O
Molecular Weight419.9
XLogP3.5
Topological Polar Surface Area73.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity720
SMILES
C1CN2CCC1[C@@H](C2)NC3=C(C(=O)NC4=C3C=C(C=C4)Cl)C5=NC6=CC=CC=C6N5
InChI
InChI=1S/C23H22ClN5O/c24-14-5-6-16-15(11-14)21(25-19-12-29-9-7-13(19)8-10-29)20(23(30)28-16)22-26-17-3-1-2-4-18(17)27-22/h1-6,11,13,19H,7-10,12H2,(H,26,27)(H2,25,28,30)/t19-/m1/s1
InChIKey
MOVBBVMDHIRCTG-LJQANCHMSA-N
Chemical Structure
2D Structure
2D structure of Chir-124
CAS: 405168-58-3
CID: 135399748
Formula: C23H22ClN5O
MW: 419.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight419.9
XLogP33.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass419.1512880
Monoisotopic Mass419.1512880
Topological Polar Surface Area73.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity720
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

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444297-01CHIR 124

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