Obi-3424
3-[5-[(1R)-1-[bis(aziridin-1-yl)phosphoryloxy]ethyl]-2-nitrophenoxy]-N,N-dimethylbenzamide
Molecular Identity
Obi-3424
3-[5-[(1R)-1-[bis(aziridin-1-yl)phosphoryloxy]ethyl]-2-nitrophenoxy]-N,N-dimethylbenzamide
PubChem CID: 126961329
2D Structure
Properties
C21H25N4O6P
Molecular Formula
460.40
Molecular Weight
g/mol
460.1512
Exact Mass
Da
2.2
XLogP
Drug-like (Lipinski: < 5)
108
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
8
H-Bond Acceptors
737
Complexity
SMILES
Canonical SMILES
SMILES: CC(C1=CC(=C(C=C1)[N+](=O)[O-])OC2=CC=CC(=C2)C(=O)N(C)C)OP(=O)(N3CC3)N4CC4Isomeric SMILES
SMILES: C[C@H](C1=CC(=C(C=C1)[N+](=O)[O-])OC2=CC=CC(=C2)C(=O)N(C)C)OP(=O)(N3CC3)N4CC4Synonyms(20)
OBI-3424UNII-X6SH5T8H763-[5-[(1R)-1-[bis(aziridin-1-yl)phosphoryloxy]ethyl]-2-nitrophenoxy]-N,N-dimethylbenzamidePhosphinic acid, P,P-bis(1-aziridinyl)-, (1R)-1-(3-(3-((dimethylamino)carbonyl)phenoxy)-4-nitrophenyl)ethyl ester3-(5-((1R)-1-(Bis(aziridin-1-yl(phosphoryloxy)ethyl)-2-nitrophenoxy)-N,N-dimethylbenzamide3-(5-((1R)-1-(bis(aziridin-1-yl)phosphoryloxy)ethyl)-2-nitrophenoxy)-N,N-dimethylbenzamide3-[5-[(1R)-1-[bis(aziridin-1-yl(phosphoryloxy]ethyl]-2-nitrophenoxy]-N,N-dimethylbenzamidePhosphinic acid, P,P-bis(1-aziridinyl)-, (1R)-1-[3-[3-[(dimethylamino)carbonyl]phenoxy]-4-nitrophenyl]ethyl esterRefChem:167341OBI-3424 [WHO-DD]AKR1C3-activated Prodrug TH-3424AKR1C3-activated Prodrug OBI-3424TH 3424Aldo-keto Reductase 1c3-activated Prodrug OBI-34242097713-68-1
Data from PubChem (NCBI)
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