Account DM21
- Catalog No. :
- ACLQXC853
- CAS No. :
- 2243689-80-5
- Molecular Formula :
- C58H83ClN8O16S
- Molecular Weight :
- 1215.86
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-(6-((((S)-2-((R)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)propanamido)propanamido)propanamido)methyl)thio)hexanoyl)-N-methyl-L-alaninate
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Product Information
| Product Name | DM21 |
|---|---|
| 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-(6-((((S)-2-((R)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)propanamido)propanamido)propanamido)methyl)thio)hexanoyl)-N-methyl-L-alaninate |
| Molecular Formula | C58H83ClN8O16S |
| Molecular Weight | 1215.86 |
| SMILES | COC1=C(Cl)C2=CC(=C1)C/C(C)=C/C=C/[C@@H](OC)[C@@]1(O)C[C@H](OC(=O)N1)[C@@H](C)[C@@H]1O[C@@]1(C)[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCCCCSCNC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCCCCN1C(=O)C=CC1=O)CC(=O)N2C |
| InChI Key | SJIJPSFCGJDQNG-JKHFOZOJSA-N |
| Synonym | Maytansine, N2'-deacetyl-N2'-[6-[[[[N-[6-(2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]-L-alanyl-D-alanyl-L-alanyl]amino]methyl]thio]-1-oxohexyl]-;DM21 |
| CAS No. | 2243689-80-5 |
| PubChem CID | 163342336 |
Synthetic Route by SureRoute
2. ACLQXC853 Molecular Building Block Synthetic Route
HS-(CH2)3CO-L-Ala-D-Ala-L-Ala-NH-CH2-S-(CH2)5-CO-DM
(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-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoyl)-N-methyl-L-alaninate
DM-CO-(CH2)5-SMe