AB-182
Basic information
- CAS
54805-58-2- Standard SMILES
CCOC(=O)NOP(=O)(N1CC1(C)C)N1CC1(C)C- InChIKey
AFKSFHAZSHQZMC-UHFFFAOYSA-N- Molecular formula
- C11H22N3O4P
- Average molar mass
- 291.28 g/mol
- Monoisotopic mass
- 291.13479319
Overview
structure given in first source
Names & identifiers
- Preferred name
- AB-182
- IUPAC
- ethyl N-bis(2,2-dimethylaziridin-1-yl)phosphoryloxycarbamate
- English name
- O-(Bis(2,2-dimethyl-1-aziridinyl)phosphinyl)-N-hydroxyurethane
- Molecular formula
- C11H22N3O4P
- Molecular weight
- 291.28
Names & synonyms
54805-58-2AB-182AB 182RefChem:108448ethyl N-bis(2,2-dimethylaziridin-1-yl)phosphoryloxycarbamateab182O-(Bis(2,2-dimethyl-1-aziridinyl)phosphinyl)-N-hydroxyurethaneNSC-200724((Bis(2,2-dimethyl-1-aziridinyl)phosphinyl)oxy)carbamic acid ethyl esterCARBAMIC ACID, ((BIS(2,2-DIMETHYL-1-AZIRIDINYL)PHOSPHINYL)OXY)-, ETHYL ESTER(bis(2,2-dimethylaziridinyl)phosphinyl)-N-hydroxyurethaneBRN 1392822
Show more names
Carbamic acid, [[bis(2,2-dimethyl-1-aziridinyl)phosphinyl]oxy]-, ethyl ester (9CI)
CHEMBL482451orb1701301SCHEMBL29374884NSC200724AKOS040747727NSC 200724DS-007431HY-118894
Database identifiers
- CAS
54805-58-2- PubChem CID
- 41190
- ChEMBL
CHEMBL482451- Nikkaji
- J3.029.287A
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 412
Chemistry & industry
Applications
DescriptionAB-182 is an aziridine derivative and antitumor agent.
UsesAB-182 is an aziridine derivative and antitumor agent.AB-182 shows synergistic antitumor effects in conjunction with x-irradiation. Intermediate hydrolysis products of AB-182 may block the repair of x-irradiation-induced breaks in the DNA strands by phosphorylating their free 3'-OH end groups.
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Compound notes
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