Products 1461704-01-7

CAS 1461704-01-7 appears in our catalog under these names: Sulfo–PDBA–DM4, Sulfo-PDBA-DM4. Offered by: GLPBio, MedChemExpress. Available pack sizes: 1mg, Get quote.

Sulfo–PDBA–DM4
GLPBio
  • size: 1mg
  • Variants: 1
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Sulfo-PDBA-DM4
MedChemExpress
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  • Variants: 1
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Structural formula: {0} (CAS {1})

4-[[5-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,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]oxy]-1-oxopropan-2-yl]-methylamino]-2-methyl-5-oxopentan-2-yl]disulfanyl]-2-sulfobutanoic acid (CAS 1461704-01-7) is a chemical compound with the molecular formula C42H60ClN3O15S3 and a molecular weight of 978.6 g/mol. IUPAC name: 4-[[5-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,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]oxy]-1-oxopropan-2-yl]-methylamino]-2-methyl-5-oxopentan-2-yl]disulfanyl]-2-sulfobutanoic acid. InChIKey: GQSPYHXXAXFCRB-DSIKUUPMSA-N.

Identity
Molecular formulaC42H60ClN3O15S3
Molecular weight978.6 g/mol
IUPAC name4-[[5-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,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]oxy]-1-oxopropan-2-yl]-methylamino]-2-methyl-5-oxopentan-2-yl]disulfanyl]-2-sulfobutanoic acid
InChIKeyGQSPYHXXAXFCRB-DSIKUUPMSA-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)SSCCC(C(=O)O)S(=O)(=O)O)C)\C)OC)(NC(=O)O2)O

Computed by PubChem (NCBI)

Synonyms: Soravtansine, Soravtansine [USAN], Soravtansine (USAN), Sulfo-PDBA-DM4