Account 5-(3,3-Dimethyl-1-butyn-1-yl)-3-[(cis-4-hydroxycyclohexyl)[(trans-4-methylcyclohexyl)carbonyl]amino]-2-thiophenecarboxylic acid
- Catalog No. :
- ACKFPZ615
- CAS No. :
- 1026785-59-0
- Molecular Formula :
- C25H35NO4S
- Molecular Weight :
- 445.63
IUPAC Name:5-(3,3-dimethylbut-1-yn-1-yl)-3-((1r,4R)-N-((1s,4S)-4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamido)thiophene-2-carboxylic acid
![5-(3,3-Dimethyl-1-butyn-1-yl)-3-[(cis-4-hydroxycyclohexyl)[(trans-4-methylcyclohexyl)carbonyl]amino]-2-thiophenecarboxylic acid structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 5-(3,3-Dimethyl-1-butyn-1-yl)-3-[(cis-4-hydroxycyclohexyl)[(trans-4-methylcyclohexyl)carbonyl]amino]-2-thiophenecarboxylic acid |
|---|---|
| IUPAC Name | 5-(3,3-dimethylbut-1-yn-1-yl)-3-((1r,4R)-N-((1s,4S)-4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamido)thiophene-2-carboxylic acid |
| Molecular Formula | C25H35NO4S |
| Molecular Weight | 445.63 |
| SMILES | CC(C)(C)C#CC1=CC(N(C(=O)[C@H]2CC[C@H](C)CC2)[C@H]2CC[C@@H](O)CC2)=C(C(=O)O)S1 |
| InChI Key | WPMJNLCLKAKMLA-UGLKCIBTSA-N |
| Synonym | AS-19557 | 1026785-55-6 (or 1026785-59-0) | NCGC00386146-02 | SCHEMBL15498313 | VCH222 | VCH-222 | s1480 | VX-222 (VCH-222, Lomibuvir) | EINECS 202-403-9 | KBio3_002752 | LOMIBUVIR [INN] | 5-(3,3-dimethyl-but-1-ynyl)-3-[(cis-4-hydroxy-cyclohexyl)-(trans-4 |
| CAS No. | 1026785-59-0 |
| PubChem CID | 24798764 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACKFPZ615 Molecular Building Block Synthetic Route
5-(3,3-Dimethylbut-1-yn-1-yl)-3-(trans-N-(trans-4-hydroxycyclohexyl)-4-methylcyclohexanecarboxamido)thiophene-2-carboxylic acid
5-(3,3-dimethylbut-1-yn-1-yl)-3-((1r,4r)-4-methyl-N-(4-oxocyclohexyl)cyclohexane-1-carboxamido)thiophene-2-carboxylic acid
5-(3,3-Dimethylbut-1-yn-1-yl)-3-((R)-N-((1R,4S)-4-hydroxy-4-((((S)-tetrahydrofuran-3-yl)oxy)methyl)cyclohexyl)-4-methylcyclohex-3-ene-1-carboxamido)thiophene-2-carboxylic acid