2,5-Dioxopyrrolidin-1-yl 4-((5-(((S)-1-(((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)oxy)-1-oxopropan-2-yl)(methyl)amino)-2-methyl-5-oxopentan-2-yl)disulfaneyl)butanoate

Catalog No. :: ACGZQL466
CAS No. :: 1626359-62-3
Molecular Formula :: C46H63ClN4O14S2
Molecular Weight :: 995.61

IUPAC Name:2,5-dioxopyrrolidin-1-yl 4-((5-(((S)-1-(((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)oxy)-1-oxopropan-2-yl)(methyl)amino)-2-methyl-5-oxopentan-2-yl)disulfaneyl)butanoate

2,5-Dioxopyrrolidin-1-yl 4-((5-(((S)-1-(((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)oxy)-1-oxopropan-2-yl)(methyl)amino)-2-methyl-5-oxopentan-2-yl)disulfaneyl)butanoate structure diagram

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Product Name	2,5-Dioxopyrrolidin-1-yl 4-((5-(((S)-1-(((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)oxy)-1-oxopropan-2-yl)(methyl)amino)-2-methyl-5-oxopentan-2-yl)disulfaneyl)butanoate
IUPAC Name	2,5-dioxopyrrolidin-1-yl 4-((5-(((S)-1-(((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)oxy)-1-oxopropan-2-yl)(methyl)amino)-2-methyl-5-oxopentan-2-yl)disulfaneyl)butanoate
MDL No.	MFCD28398158
Molecular Formula	C46H63ClN4O14S2
Molecular Weight	995.61
SMILES	C[C@]1([C@@](CC(N(C(C=C2C=C3OC)=C3Cl)C)=O)([H])OC([C@H](C)N(C)C(CCC(C)(C)SSCCCC(ON(C4=O)C(CC4)=O)=O)=O)=O)[C@H]([C@@H]([C@](OC5=O)([H])C[C@]([C@](/C=C/C=C(C)/C2)([H])OC)(N5)O)C)O1
InChI Key	LAVNQRWLLQGEIB-BAQPUJNESA-N
Synonym	SPDB-DM4;DM4-SPDB;Maytansine, N2'-deacetyl-N2'-[4-[[4-[(2,5-dioxo-1-pyrrolidinyl)oxy]-4-oxobutyl]dithio]-4-methyl-1-oxopentyl]-
CAS No.	1626359-62-3

Safety Data

Pictogram
Signal Word: Danger
Hazard Statement(s): H315-H318-H335
Precautionary Statement(s): P280-P302+P352-P305+P351+P338+P310

Synthetic Route by SureRoute

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ACGZQL4661626359-62-3

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Safety Data

Synthetic Route by SureRoute

1. ACGZQL466 Molecular Building Block Synthetic Route

2. ACGZQL466 Molecular Building Block Synthetic Route

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Safety Data

Synthetic Route by SureRoute

DM4-SPDP

2,5-dioxopyrrolidin-1-yl 4-((3-((1-((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)oxy)-1-oxopropan-2-yl)(methyl)amino)-3-oxopropyl)disulfaneyl)pentanoate

4-((5-(((S)-1-(((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)oxy)-1-oxopropan-2-yl)(methyl)amino)-2-methyl

DBA-DM4

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