Account DBA-DM4
- Catalog No. :
- ACHQDQ173
- CAS No. :
- 905449-84-5
- Molecular Formula :
- C42H60ClN3O12S2
- Molecular Weight :
- 898.54
IUPAC Name: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)butanoic acid
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Product Information
| Product Name | DBA-DM4 |
|---|---|
| IUPAC Name | 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)butanoic acid |
| Molecular Formula | C42H60ClN3O12S2 |
| Molecular Weight | 898.54 |
| SMILES | C[C@]12[C@@]([C@@H]([C@]3([H])C[C@]([C@@H](/C=C/C=C(CC4=CC(N(C(C[C@@H]2OC([C@H](C)N(C)C(CCC(C)(C)SSCCCC(O)=O)=O)=O)=O)C)=C(C(OC)=C4)Cl)\C)OC)(NC(O3)=O)O)C)([H])O1 |
| InChI Key | ORSKCTIDJPPMJJ-CYZHRDLYSA-N |
| Synonym | DBA-DM4;Maytansine, N2'-[4-[(3-carboxypropyl)dithio]-4-methyl-1-oxopentyl]-N2'-deacetyl- |
| CAS No. | 905449-84-5 |
Synthetic Route by SureRoute
2. ACHQDQ173 Molecular Building Block Synthetic Route
Lys-Nε-SPDB-DM4
(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-(methyldisulfaneyl)pentanoyl)-L-alaninate
DM3-SMe