Account Sulfo-PDBA-DM4
- Catalog No. :
- ACYUAW843
- CAS No. :
- 1461704-01-7
- Molecular Formula :
- C42H60ClN3O15S3
- Molecular Weight :
- 978.60
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)-2-sulfobutanoic acid
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Product Information
| Product Name | Sulfo-PDBA-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)-2-sulfobutanoic acid |
| Molecular Formula | C42H60ClN3O15S3 |
| Molecular Weight | 978.60 |
| SMILES | C[C@]12[C@@](O1)([C@H](C)[C@@]3(C[C@](O)([C@H](OC)/C=C/C=C(\C)/CC4=CC(N(C)C(=O)C[C@@H]2OC([C@@H](N(C(CCC(SSCCC(S(=O)(=O)O)C(O)=O)(C)C)=O)C)C)=O)=C(Cl)C(OC)=C4)NC(=O)O3)[H])[H] |
| InChI Key | GQSPYHXXAXFCRB-DSIKUUPMSA-N |
| Synonym | Soravtansine;Sulfo-PDBA-DM4;Maytansine, N2'-[4-[(3-carboxy-3-sulfopropyl)dithio]-4-methyl-1-oxopentyl]-N2'-deacetyl-;Sulfo-PDBA-DM4, 98%，;4-[(4-{[(2S)-1-{[(1S,2R,3S,5S,6R,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.11?,1?.03,?]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy}-1-oxopropan-2-yl](methyl)carbamoyl}-2-methylbutan-2-yl)disulfanyl]-2-sulfobutanoic acid |
| CAS No. | 1461704-01-7 |
Synthetic Route by SureRoute
2. ACYUAW843 Molecular Building Block Synthetic Route
DBA-DM4
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
Lys-Nε-SPDB-DM4