(14S,16S,32S,33S,2R,4S,10E,12E,14R)-86-Chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl N-methyl-N-(4-methyl-4-(methylthio)pentanoyl)-L-alaninate

Catalog No. :
ACAORX264
CAS No. :
890654-03-2
Molecular Formula :
C39H56ClN3O10S
Molecular Weight :
794.41

IUPAC Name:(14S,16S,32S,33S,2R,4S,10E,12E,14R)-86-chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl N-methyl-N-(4-methyl-4-(methylthio)pentanoyl)-L-alaninate

(14S,16S,32S,33S,2R,4S,10E,12E,14R)-86-Chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl N-methyl-N-(4-methyl-4-(methylthio)pentanoyl)-L-alaninate structure diagram
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Product Information

Product Name(14S,16S,32S,33S,2R,4S,10E,12E,14R)-86-Chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl N-methyl-N-(4-methyl-4-(methylthio)pentanoyl)-L-alaninate
IUPAC Name(14S,16S,32S,33S,2R,4S,10E,12E,14R)-86-chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl N-methyl-N-(4-methyl-4-(methylthio)pentanoyl)-L-alaninate
Molecular FormulaC39H56ClN3O10S
Molecular Weight794.41
SMILESCOC1=C(Cl)C2=CC(=C1)C/C(C)=C/C=C/[C@@H](OC)[C@@]1(O)C[C@H](OC(=O)N1)[C@@H](C)[C@@H]1O[C@@]1(C)[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SC)CC(=O)N2C
InChI KeyAYWIIXDQRUFQGH-SIDGEOBYSA-N
SynonymMaytansine, N2'-deacetyl-N2'-[4-methyl-4-(methylthio)-1-oxopentyl]-;Maytansinoid DM4 Impurity 3;N2'-Deacetyl-N2'-(4-methyl-4-methylthio-1-oxopentyl)maytansine;MaytansinoidDM4Impurity3-d6;S-Me-DM4
CAS No.890654-03-2

Safety Data

Pictogram
Toxic
Signal Word
Danger
Hazard Statement(s)
H301-H311-H331
Precautionary Statement(s)
P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501

Synthetic Route by SureRoute

1. ACAORX264 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACAORX264 route product structure diagram
    ACAORX264890654-03-2
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2. ACAORX264 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. ACDTRO590 route compound structure diagram
    ACDTRO59057103-68-1 In Stock
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACAORX264 route product structure diagram
    ACAORX264890654-03-2
Inquiry

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