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Chemical structure of R 428 dihydrochloride - BGB324 | Bemcentinib

GB40338

R 428 dihydrochloride - BGB324 | Bemcentinib

Also known as 1-(3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-yl)-3-N-(7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,2,4-triazole-3,5-diamine;dihydrochloride

Potent and selective inhibitor of A1l receptor tyrosine kinases (IC50: 14 nM); R428 inhibits A1l kinase and blocks A1l-dependent events, including Akt phosphorylation, breast cancer cell invasion, and proinflammatory cytokine production·Note: The hydrochloride salt of R428 is water-soluble and has an improved solubility in DMSO in comparison with its free base

ChemicalCAS2108833-51-6MW579.57FormulaC30H34N8·2HCl
CAS number
2108833-51-6
Molecular weight
579.57
Formula
C30H34N8·2HCl
InChIKey
KNUMGBTVVFIGFU-UHFFFAOYSA-N
Catalogue number
GB40338
Brand
GLPBIO
Computed properties PubChem CID 145710683 · TPSA 97.8 Ų · H-bond donors 4 · H-bond acceptors 7
TPSA
97.8 Ų
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
40

SMILES C1CCN(C1)C2CCC3=C(CC2)C=C(C=C3)NC4=NN(C(=N4)N)C5=NN=C6C(=C5)CCCC7=CC=CC=C76.Cl.Cl

Computed descriptors from PubChem (CID 145710683), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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