Maytansinoid DM4 Impurity 3

cas: 890654-03-2 — see every product listed under this CAS number, including other names

Maytansinoid DM4 Impurity 3 (CAS 890654-03-2) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULM116009
cas890654-03-2
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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categoryChemicals
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Structural formula: {0} (CAS {1})

[(1S,2R,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[methyl-(4-methyl-4-methylsulfanylpentanoyl)amino]propanoate (CAS 890654-03-2) is a chemical compound with the molecular formula C39H56ClN3O10S and a molecular weight of 794.4 g/mol. IUPAC name: [(1S,2R,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[methyl-(4-methyl-4-methylsulfanylpentanoyl)amino]propanoate. InChIKey: AYWIIXDQRUFQGH-CJUSJEAQSA-N.

Identity
Molecular formulaC39H56ClN3O10S
Molecular weight794.4 g/mol
IUPAC name[(1S,2R,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[methyl-(4-methyl-4-methylsulfanylpentanoyl)amino]propanoate
InChIKeyAYWIIXDQRUFQGH-CJUSJEAQSA-N
SMILESC[C@@H]1[C@@H]2C[C@]([C@@H](/C=C\C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SC)C)\C)OC)(NC(=O)O2)O

Computed by PubChem (NCBI)

Synonyms: Maytansine, N2'-deacetyl-N2'-(4-methyl-4-(methylthio)-1-oxopentyl)-, Maytansine, N2'-deacetyl-N2'-[4-methyl-4-(methylthio)-1-oxopentyl]-, S-Me-DM4, AYWIIXDQRUFQGH-CJUSJEAQSA-N
Isomers (same molecular formula)
[(1S,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,2,5,9,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[methyl-(4-methyl-4-sulfanylpentanoyl)amino]propanoate C39H56ClN3O10S

Also listed as

N2'-Deacetyl-N2'-(4-methyl-4-methylthio-1-oxopentyl)maytansine TRC CAS 890654-03-2
S–Me–DM4 GLPBio CAS 890654-03-2
S-Me-DM4, 99%, 99% Chemat CAS 890654-03-2
S-Me-DM4, 99.94% MedChemExpress CAS 890654-03-2