(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-(3-mercaptopropanoyl)-N-methyl-L-alaninate

Catalog No. :: ACONZR457
CAS No. :: 139504-50-0
Molecular Formula :: C35H48ClN3O10S
Molecular Weight :: 738.30

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-(3-mercaptopropanoyl)-N-methyl-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-(3-mercaptopropanoyl)-N-methyl-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-(3-mercaptopropanoyl)-N-methyl-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-(3-mercaptopropanoyl)-N-methyl-L-alaninate
MDL No.	MFCD28398157
Molecular Formula	C35H48ClN3O10S
Molecular Weight	738.30
SMILES	C[C@@H]1[C@@H]2C[C@](O)([C@@H](/C=C/C=C(CC3=CC(N(C(C[C@@H]([C@]4([C@H]1O4)C)OC([C@H](C)N(C)C(CCS)=O)=O)=O)C)=C(Cl)C(OC)=C3)\C)OC)NC(O2)=O
InChI Key	ANZJBCHSOXCCRQ-FKUXLPTCSA-N
Synonym	N2'-Deacetyl-N2'-(3-mercapto-1-oxopropyl)-maytansine, L- \| CHEBI:82755 \| DDZ29HGH0E \| Q4515649 \| Mertansine (DM1) \| maytansinoid DM1 \| Mertasine \| [(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-
CAS No.	139504-50-0
PubChem CID	11343137

Safety Data

Pictogram
Signal Word: Danger
Hazard Statement(s): H302-H311-H314-H340-H350
Precautionary Statement(s): P201-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338+P310-P308+P313

Synthetic Route by SureRoute

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(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-(3-mercaptopropanoyl)-N-methyl-L-alaninate

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Synthetic Route by SureRoute

1. ACONZR457 Molecular Building Block Synthetic Route

2. ACONZR457 Molecular Building Block Synthetic Route

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(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-(3-mercaptopropanoyl)-N-methyl-L-alaninate

Product Information

Safety Data

Synthetic Route by SureRoute

N-2'-Deacetyl-N-2'-(3-methylthio-1-oxopropyl)maytansine

(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-(3-(methyldisulfaneyl)propanoyl)-L-alaninate

DM-CO-(CH2)5-SMe

Maytansinoid B

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