CHEBI:195316 - BMY-25067

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ChEBI Name BMY-25067 ChEBI ID CHEBI:195316 Definition An 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C23H25N5O7S2 Net Charge 0 Average Mass 547.600 Monoisotopic Mass 547.11954 InChI InChI=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 InChIKey ZNDJOCJUBZZAMN-USYHLRJESA-N SMILES [H][C@]12CN3C4=C([C@@H](COC(N)=O)[C@@]3(OC)[C@@]1([H])N2)C(=O)C(NCCSSC1=CC=C(C=C1)[N+]([O-])=O)=C(C)C4=O Roles Classification Application(s): antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Sources BMS 181174 ChEBI BMS-181174 ChEBI BMS181174 ChEBI BMY 25067 ChEBI BMY25067 ChEBI N-7-(2-(nitrophenyldithio)ethyl)mitomycin C ChEBI Manual Xref Database US5703111 Patent View more database links Registry Number Type Source 95056-36-3 CAS Registry Number ChEBI Citations Types Sources 10072677 PubMed citation Europe PMC 10587292 PubMed citation Europe PMC 1423311 PubMed citation Europe PMC 15053618 PubMed citation Europe PMC 15678185 PubMed citation Europe PMC 16765324 PubMed citation Europe PMC 1688200 PubMed citation Europe PMC 2125529 PubMed citation Europe PMC 2153443 PubMed citation Europe PMC 2380013 PubMed citation Europe PMC 2550081 PubMed citation Europe PMC 2767361 PubMed citation Europe PMC 3440251 PubMed citation Europe PMC 7488240 PubMed citation Europe PMC 7656243 PubMed citation Europe PMC 8297721 PubMed citation Europe PMC 8517871 PubMed citation Europe PMC 8735495 PubMed citation Europe PMC 8758917 PubMed citation Europe PMC 9090717 PubMed citation Europe PMC 9113102 PubMed citation Europe PMC 9275022 PubMed citation Europe PMC 9535170 PubMed citation Europe PMC 9667686 PubMed citation Europe PMC 9815817 PubMed citation Europe PMC Last Modified 12 July 2023