Account 2-((3S,4S)-2-(4-(tert-Butyl)-3-chlorophenyl)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-7-fluoro-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl)acetic acid
- Catalog No. :
- ACJRTO146
- CAS No. :
- 2365039-41-2
- Molecular Formula :
- C29H27ClFNO5
- Molecular Weight :
- 523.99
IUPAC Name:2-((3S,4S)-2-(4-(tert-butyl)-3-chlorophenyl)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-7-fluoro-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl)acetic acid
![2-((3S,4S)-2-(4-(tert-Butyl)-3-chlorophenyl)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-7-fluoro-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl)acetic acid structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 2-((3S,4S)-2-(4-(tert-Butyl)-3-chlorophenyl)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-7-fluoro-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl)acetic acid |
|---|---|
| IUPAC Name | 2-((3S,4S)-2-(4-(tert-butyl)-3-chlorophenyl)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-7-fluoro-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl)acetic acid |
| Molecular Formula | C29H27ClFNO5 |
| Molecular Weight | 523.99 |
| SMILES | O=C(O)C[C@@H](C1=C2C=C(F)C=C1)[C@@H](C3=CC=C(OCCO4)C4=C3)N(C5=CC=C(C(C)(C)C)C(Cl)=C5)C2=O |
| InChI Key | JAIAHSWXASHNQH-CCLHPLFOSA-N |
| Synonym | 4-Isoquinolineacetic acid, 2-[3-chloro-4-(1,1-dimethylethyl)phenyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluoro-1,2,3,4-tetrahydro-1-oxo-, (3S,4S)-;2-((3S,4S)-2-(4-(tert-butyl)-3-chlorophenyl)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-7-fluoro-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl)acetic acid;STING ligand-1;STING ligand 1,STING ligand1 |
| CAS No. | 2365039-41-2 |
| PubChem CID | 135393515 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Synthetic Route by SureRoute
2. ACJRTO146 Molecular Building Block Synthetic Route
2-(2-(4-(tert-Butyl)-3-chlorophenyl)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-7-fluoro-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl)acetic acid
2-(2H-1,3-Benzodioxol-5-yl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
2-(Benzo[d][1,3]dioxol-5-yl)-N-(4-methoxybenzyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide