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Chemical structure of diABZI-C2-NH2

GC63473

diABZI-C2-NH2

Also known as 1-[4-[5-(2-aminoethylcarbamoyl)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide

diABZI-C2-NH2, an active analogue containing a primary amine functionality, is a STING agonist

ChemicalCAS2137975-93-8MW721.81FormulaC36H43N13O4
CAS number
2137975-93-8
Molecular weight
721.81
Formula
C36H43N13O4
InChIKey
OFHOFLFXGGZWEH-UHFFFAOYSA-N
Catalogue number
GC63473
Brand
GLPBIO
Computed properties PubChem CID 131997716 · XLogP 1.5 · TPSA 228 Ų · H-bond donors 5
XLogP
1.5
TPSA
228 Ų
H-bond donors
5
H-bond acceptors
9
Rotatable bonds
15
Heavy atoms
53

SMILES CCN1C(=CC(=N1)C)C(=O)NC2=NC3=C(N2CCCCN4C5=C(C=C(C=C5)C(=O)NCCN)N=C4NC(=O)C6=CC(=NN6CC)C)C=CC(=C3)C(=O)N

Computed descriptors from PubChem (CID 131997716), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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