Account N6-((1S,4S)-4-(((S)-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)(me
- Catalog No. :
- ACMGQM185
- CAS No. :
- 1281816-04-3
- Molecular Formula :
- C53H75ClN6O15S
- Molecular Weight :
- 1103.73
IUPAC Name:N6-((1S,4S)-4-(((S)-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-carbonyl)-L-lysine
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Product Information
| Product Name | N6-((1S,4S)-4-(((S)-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)(me |
|---|---|
| IUPAC Name | N6-((1S,4S)-4-(((S)-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-carbonyl)-L-lysine |
| MDL No. | MFCD00867558 |
| Molecular Formula | C53H75ClN6O15S |
| Molecular Weight | 1103.73 |
| 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)CCS[C@H]1CC(=O)N(C[C@H]3CC[C@H](C(=O)NCCCC[C@H](N)C(=O)O)CC3)C1=O)CC(=O)N2C |
| InChI Key | UBRZDBDIKWWPEN-OTYOUQFHSA-N |
| Synonym | Lys-SMCC-DM1;UBRZDBDIKWWPEN-QUFZOKFRSA-N;Maytansine, N2'-[3-[[1-[[trans-4-[[[(5S)-5-amino-5-carboxypentyl]amino]carbonyl]cyclohexyl]methyl]-2,5-dioxo-3-pyrrolidinyl]thio]-1-oxopropyl]-N2'-deacetyl-;Lys-Nε-MCC-DM1;Maytansine related Compound 1 (Lys-SMCC-DM1);Benzenesulfonylchloride,6-(phenylmethoxy)-;Lys-SMCC-DM1 TFA;LysSMCCDM1,growth inhibitory,inhibit,linker-payload,Lys SMCC DM1,Drug-Linker Conjugates for ADC,HER2,Inhibitor,tubulin polymerization,Lys-SMCC-DM-1 |
| CAS No. | 1281816-04-3 |
Synthetic Route by SureRoute
2. ACMGQM185 Molecular Building Block Synthetic Route
(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
(14S,32S,33R,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-(3-((2,5-dioxo-1-((4-((13-oxo-17-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-3,6,9-trioxa-12-azaheptadecyl)carbamoyl)cyclohexyl)methyl)pyrrolidin-3-yl)thio)propanoyl)-N-methyl-D-alaninate