Account (1S,3R,4S)-4-(2-((5-Chloropyridin-2-yl)amino)-2-oxoacetamido)-3-(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamido)cyclohexane-1-carboxylic acid
- Catalog No. :
- ACLNWL033
- CAS No. :
- 834919-19-6
- Molecular Formula :
- C22H25ClN6O5S
- Molecular Weight :
- 521.00
IUPAC Name:Edoxaban M4
![(1S,3R,4S)-4-(2-((5-Chloropyridin-2-yl)amino)-2-oxoacetamido)-3-(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamido)cyclohexane-1-carboxylic acid structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (1S,3R,4S)-4-(2-((5-Chloropyridin-2-yl)amino)-2-oxoacetamido)-3-(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamido)cyclohexane-1-carboxylic acid |
|---|---|
| IUPAC Name | Edoxaban M4 |
| Molecular Formula | C22H25ClN6O5S |
| Molecular Weight | 521.00 |
| SMILES | O=C(O)[C@@H]1C[C@H]([C@H](CC1)NC(C(NC2=NC=C(C=C2)Cl)=O)=O)NC(C3=NC4=C(CN(CC4)C)S3)=O |
| InChI Key | QPYMJNYAASVNAP-CORIIIEPSA-N |
| Synonym | SCHEMBL1254080 | CS-0068636 | Q27280909 | (1S,3R,4S)-4-[[2-[(5-chloropyridin-2-yl)amino]-2-oxoacetyl]amino]-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid | MS-29663 | AKOS040744452 | Edoxaban M4 | |
| CAS No. | 834919-19-6 |
| PubChem CID | 59676899 |
Safety Data
- Pictogram
- Signal Word
- Danger
- Hazard Statement(s)
- H302-H319-H372-H410
- Precautionary Statement(s)
- P260-P264-P273-P301+P312-P305+P351+P338-P314
Synthetic Route by SureRoute
2. ACLNWL033 Molecular Building Block Synthetic Route
Ethyl (1S,3R,4S)-4-(2-((5-chloropyridin-2-yl)amino)-2-oxoacetamido)-3-(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamido)cyclohexane-1-carboxylate
N1-(5-Chloropyridin-2-yl)-N2-((1S,2R,4S)-4-(dimethylcarbamoyl)-2-(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamido)cyclohexyl)oxalamide
N1-(5-Chloropyridin-2-yl)-N2-((1R,2S,4R)-4-(dimethylcarbamoyl)-2-(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamido)cyclohexyl)oxalamide