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Chemical structure of JH-VIII-157-02

GC33062

JH-VIII-157-02

Also known as 2-[4-(3-cyano-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)pyrazol-1-yl]-N,N-dimethylacetamide

JH-VIII-157-02 is a structural analogue of alectinib, acts as an ALK inhibitor, and shows an IC50 of 2 nM for echinoderm microtubule-associated protein-like 4-ALK (EML4-ALK) G1202R in cells

ChemicalCAS1639422-97-1MW465.55FormulaC28H27N5O2
CAS number
1639422-97-1
Molecular weight
465.55
Formula
C28H27N5O2
Solubility
DMSO : ≥ 25 mg/mL (53·70 mM)
InChIKey
IDGNCVHQDDOPND-UHFFFAOYSA-N
Catalogue number
GC33062
Brand
GLPBIO
Computed properties PubChem CID 127037084 · XLogP 4.5 · TPSA 94.8 Ų · H-bond donors 1
XLogP
4.5
TPSA
94.8 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
35

SMILES CCC1=CC2=C(C=C1C3=CN(N=C3)CC(=O)N(C)C)C(C4=C(C2=O)C5=C(N4)C=C(C=C5)C#N)(C)C

Computed descriptors from PubChem (CID 127037084), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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