Account 2,5-Dioxopyrrolidin-1-yl 4-((3-((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)thio)-2,5-dioxopyrrolidin-1-yl)methyl)cyclohexane-1-carboxylate
- Catalog No. :
- ACNZAK942
- CAS No. :
- 1228105-52-9
- Molecular Formula :
- C54H72ClN5O16S
- Molecular Weight :
- 1114.71
IUPAC Name:2,5-dioxopyrrolidin-1-yl 4-((3-((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)thio)-2,5-dioxopyrrolidin-1-yl)methyl)cyclohexane-1-carboxylate
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Product Information
| Product Name | 2,5-Dioxopyrrolidin-1-yl 4-((3-((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)thio)-2,5-dioxopyrrolidin-1-yl)methyl)cyclohexane-1-carboxylate |
|---|---|
| IUPAC Name | 2,5-dioxopyrrolidin-1-yl 4-((3-((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)thio)-2,5-dioxopyrrolidin-1-yl)methyl)cyclohexane-1-carboxylate |
| Molecular Formula | C54H72ClN5O16S |
| Molecular Weight | 1114.71 |
| SMILES | COC1=CC2=CC(=C1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SC1CC(=O)N(CC3CCC(C(=O)ON4C(=O)CCC4=O)CC3)C1=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 |
| InChI Key | VYNFFBGYRBMGDS-NPCPMBKGSA-N |
| Synonym | DM4-SMCC;Maytansine, N2'-deacetyl-N2'-[4-[[1-[[4-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]cyclohexyl]methyl]-2,5-dioxo-3-pyrrolidinyl]thio]-4-methyl-1-oxopentyl]-;SMCC-DM4 |
| CAS No. | 1228105-52-9 |
Safety Data
- Pictogram
- Signal Word
- Danger
- Hazard Statement(s)
- H301-H311-H331
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312-P304+P340+P311-P361+P364-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACNZAK942 Molecular Building Block Synthetic Route
2,5-Dioxopyrrolidin-1-yl 4-((3-((3-(((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)-3-oxopropyl)thio)-2,5-dioxopyrrolidin-1-yl)methyl)cyclohexane-1-carboxylate
(14S,16S,32S,33R,2R,4S,10Z,12Z,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-((1-((4-carbamoylcyclohexyl)methyl)-2,5-dioxopyrrolidin-3-yl)thio)propanoyl)-N-methyl-L-alaninate
MCC-DM1