CHIR-124

주요 정보

CAS 번호

405168-58-3

Purity

>98%

제형

Solid

form

Molecular weight

419.9 Da

Molecular formula

C₂₃H₂₂ClN₅O

PubChem

135399748

Nature

Synthetic

Solubility

Soluble in DMSO to 25 mM

생화학적 명칭

(S)-3-(1H-benzo[d]imidazol-2-yl)-6-chloro-4-(quinuclidin-3-ylamino)quinolin-2(1H)-one

생물학적 정보

Novel and potent Chk1 inhibitor (IC₅₀ = 0.3 nM), 2,000-fold more potent than Chk2 (IC₅₀ = 0.7 μM). Also, potently targets other kinases such as FLT3 (IC₅₀ = 5.8 nM), PDGFR (IC₅₀ = 6.6 nM), GSK-3 (IC₅₀ = 23.3 nM) and Fyn (IC₅₀ = 98.8 nM) .

Canonical SMILES

C1CN2CCC1C(C2)NC3=C(C(=O)NC4=C3C=C(C=C4)Cl)C5=NC6=CC=CC=C6N5

Isomeric 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

IUPAC Name

4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-3-(1H-benzimidazol-2-yl)-6-chloro-1H-quinolin-2-one