Account 10-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0^{2,6}.0^{8,12}]tridec-4-ene-5-carboxylic acid
- Catalog No. :
- ACWLPH445
- CAS No. :
- 321998-80-5
- Molecular Formula :
- C19H16ClF3N4O5
- Molecular Weight :
- 472.81
IUPAC Name:6-(2-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)ethyl)-5,7-dioxo-3a,4a,5,6,7,7a,8,8a-octahydro-4H-4,8-methanoisoxazolo[4,5-f]isoindole-3-carboxylic acid
![10-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0^{2,6}.0^{8,12}]tridec-4-ene-5-carboxylic acid structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 10-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0^{2,6}.0^{8,12}]tridec-4-ene-5-carboxylic acid |
|---|---|
| IUPAC Name | 6-(2-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)ethyl)-5,7-dioxo-3a,4a,5,6,7,7a,8,8a-octahydro-4H-4,8-methanoisoxazolo[4,5-f]isoindole-3-carboxylic acid |
| Molecular Formula | C19H16ClF3N4O5 |
| Molecular Weight | 472.81 |
| SMILES | O=C(C1=NOC2C3C4C(C(N(CCNC5=NC=C(C(F)(F)F)C=C5Cl)C4=O)=O)C(C3)C12)O |
| InChI Key | VHWWMGQZRGACBA-UHFFFAOYSA-N |
| Synonym | 10-(2-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]AMINO)ETHYL)-9,11-DIOXO-3-OXA-4,10-DIAZATETRACYCLO[5.5.1.0(2,6).0(8,12)]TRIDEC-4-ENE-5-CARBOXYLIC ACID;10-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0^{2,6}.0^{8,12}]tridec-4-ene-5-carboxylic acid;4,8-Methano-4H-pyrrolo[3,4-f]-1,2-benzisoxazole-3-carboxylic acid, 6-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3a,4a,5,6,7,7a,8,8a-octahydro-5,7-dioxo- |
| CAS No. | 321998-80-5 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Synthetic Route by SureRoute
2. ACWLPH445 Molecular Building Block Synthetic Route
Ethyl 10-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0^{2,6}.0^{8,12}]tridec-4-ene-5-carboxylate
10-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-5-(pyrrolidine-1-carbonyl)-3-oxa-4,10-diazatetracyclo[5.5.1.0^{2,6}.0^{8,12}]tridec-4-ene-9,11-dione
Ethyl 5-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-4,6-dioxo-3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate