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Chemical structure of DB1976 hydrochloride

GC39628

DB1976 hydrochloride

Also known as 2-[5-(6-carbamimidoyl-1H-benzimidazol-2-yl)selenophen-2-yl]-3H-benzimidazole-5-carboximidamide;dihydrochloride

DB1976 hydrochloride is a efficacious transcription factor PU·1 inhibitor· DB1976 dihydrochloride potently inhibits PU·1 binding (IC50 of 10 nM) and strongly inhibits the PU·1/DNA complex (with high DB1976-λB affinity, KD of 12 nM) in vitro· DB1976 dihydrochloride has apoptosis-inducing effect

ChemicalCAS2369663-93-2MW520.28FormulaC20H18Cl2N8Se
CAS number
2369663-93-2
Molecular weight
520.28
Formula
C20H18Cl2N8Se
Solubility
DMSO ： 62·5 mg/mL (120·13 mM; Need ultrason); H20 ： 18·33 mg/mL (35·23 mM; Need ultrasonic）
InChIKey
ZXDJCXGSFWTRMS-UHFFFAOYSA-N
Catalogue number
GC39628
Brand
GLPBIO
Computed properties PubChem CID 146014497 · TPSA 157 Ų · H-bond donors 8 · H-bond acceptors 4
TPSA
157 Ų
H-bond donors
8
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
31

SMILES C1=CC2=C(C=C1C(=N)N)NC(=N2)C3=CC=C([Se]3)C4=NC5=C(N4)C=C(C=C5)C(=N)N.Cl.Cl

Computed descriptors from PubChem (CID 146014497), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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