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Chemical structure of N-deacetylated BMS-202

GC34415

N-deacetylated BMS-202

Also known as N'-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]-3-pyridinyl]methyl]ethane-1,2-diamine

N-deacetylated BMS-202 is the deacetylated of BMS-202· BMS-202 is an inhibitor of the PD-1/PD-L1 interaction, mainly used for cancer treatment

ChemicalCAS2310135-18-1MW377.48FormulaC23H27N3O2
CAS number
2310135-18-1
Molecular weight
377.48
Formula
C23H27N3O2
Solubility
DMSO : ≥ 36 mg/mL (95·37 mM)
InChIKey
IVGJGWNPAKJGGB-UHFFFAOYSA-N
Catalogue number
GC34415
Brand
GLPBIO
Computed properties PubChem CID 126843234 · XLogP 3.4 · TPSA 69.4 Ų · H-bond donors 2
XLogP
3.4
TPSA
69.4 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
28

SMILES CC1=C(C=CC=C1C2=CC=CC=C2)COC3=NC(=C(C=C3)CNCCN)OC

Computed descriptors from PubChem (CID 126843234), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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