Account DM3-SMe
- Catalog No. :
- ACJNYM193
- CAS No. :
- 796073-70-6
- Molecular Formula :
- C38H54ClN3O10S2
- Molecular Weight :
- 812.45
IUPAC Name:(14S,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-(methyldisulfaneyl)pentanoyl)-L-alaninate
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Product Information
| Product Name | DM3-SMe |
|---|---|
| IUPAC Name | (14S,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-(methyldisulfaneyl)pentanoyl)-L-alaninate |
| MDL No. | MFCD28400103 |
| Molecular Formula | C38H54ClN3O10S2 |
| Molecular Weight | 812.45 |
| SMILES | COC1=CC2=CC(=C1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)SSC)[C@]1(C)O[C@H]1[C@H](C)C1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 |
| InChI Key | YCOIJPSIDUQDNN-RBQMEXLHSA-N |
| Synonym | DM3-Sme;Maytansine, N2'-deacetyl-N2'-[4-(methyldithio)-1-oxopentyl]- (9CI) |
| CAS No. | 796073-70-6 |
Synthetic Route by SureRoute
2. ACJNYM193 Molecular Building Block Synthetic Route
(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
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-(4-mercapto-4-methylpentanoyl)-N-methyl-L-alaninate