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CHEBI:195316 - BMY-25067

ChEBI IDCHEBI:195316
ChEBI NameBMY-25067
Stars
DefinitionAn organic disulfide that is mitomycin C in which the amino group at position 7 is replaced by a {2-[(4-nitrophenyl)disulfanyl]ethyl}amino group. It is a derivative of mitomycin C with activity against a range of tumour cell lines and xenografts.
Last Modified12 July 2023
SubmitterAdnan
DownloadsMolfile
FormulaC23H25N5O7S2
Net Charge0
Average Mass547.615
Monoisotopic Mass547.11954
SMILES[H][C@]12N[C@@]1([H])CN1C3=C(C(=O)C(NCCSSc4ccc([N+](=O)[O-])cc4)=C(C)C3=O)[C@@H](COC(N)=O)[C@]12OC
InChIInChI=1S/C23H25N5O7S2/c1-11-17(25-7-8-36-37-13-5-3-12(4-6-13)28(32)33)20(30)16-14(10-35-22(24)31)23(34-2)21-15(26-21)9-27(23)18(16)19(11)29/h3-6,14-15,21,25-26H,7-10H2,1-2H3,(H2,24,31)/t14-,15+,21+,23-/m1/s1
InChIKeyZNDJOCJUBZZAMN-USYHLRJESA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
BMY-25067 (CHEBI:195316) has functional parent mitomycin C (CHEBI:27504)
BMY-25067 (CHEBI:195316) has role antineoplastic agent (CHEBI:35610)
BMY-25067 (CHEBI:195316) is a C-nitro compound (CHEBI:35716)
BMY-25067 (CHEBI:195316) is a organic disulfide (CHEBI:35489)
IUPAC Name 
[(1aS,8S,8aR,8bS)-8a-methoxy-5-methyl-6-({2-[(4-nitrophenyl)disulfanyl]ethyl}amino)-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate
Synonyms  Source
N-7-(2-(nitrophenyldithio)ethyl)mitomycin CChEBI
BMY 25067ChEBI
BMS181174ChEBI
BMS-181174ChEBI
BMS 181174ChEBI
BMY25067ChEBI
Manual XrefsDatabases
US5703111Patent
Registry NumbersSources
CAS:95056-36-3ChEBI
Citations