Account (S)-2-Amino-4-methyl-4-(3-(4-((S)-1-((S)-1-methylpyrrolidin-2-yl)ethoxy)pyrimidin-2-yl)-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
- Catalog No. :
- ACVOBR840
- CAS No. :
- 2937327-93-8
- Molecular Formula :
- C23H27N7O2S
- Molecular Weight :
- 465.58
IUPAC Name:(S)-2-amino-4-methyl-4-(3-(4-((S)-1-((S)-1-methylpyrrolidin-2-yl)ethoxy)pyrimidin-2-yl)-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
![(S)-2-Amino-4-methyl-4-(3-(4-((S)-1-((S)-1-methylpyrrolidin-2-yl)ethoxy)pyrimidin-2-yl)-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (S)-2-Amino-4-methyl-4-(3-(4-((S)-1-((S)-1-methylpyrrolidin-2-yl)ethoxy)pyrimidin-2-yl)-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile |
|---|---|
| IUPAC Name | (S)-2-amino-4-methyl-4-(3-(4-((S)-1-((S)-1-methylpyrrolidin-2-yl)ethoxy)pyrimidin-2-yl)-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile |
| MDL No. | - |
| Molecular Formula | C23H27N7O2S |
| Molecular Weight | 465.58 |
| SMILES | N#CC1=C(N)SC2=C1[C@](C3=NC(C4=NC=CC(O[C@H]([C@H]5N(C)CCC5)C)=N4)=NO3)(C)CCC2 |
| InChI Key | MIUFORKWYHBPRW-HMFCALDFSA-N |
| Synonym | BI-2865;BI-2865, 10 mM in DMSO;(S)-2-Amino-4-methyl-4-[3-[4-[(S)-1-[(S)-1-methyl-2-pyrrolidinyl]ethoxy]-2-pyrimidinyl]-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile |
| CAS No. | 2937327-93-8 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319
- Precautionary Statement(s)
- P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501
Synthetic Route by SureRoute
2. ACVOBR840 Molecular Building Block Synthetic Route
tert-Butyl (S)-4-(4-(5-((S)-2-amino-3-cyano-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-4-yl)-1,2,4-oxadiazol-3-yl)pyrimidin-2-yl)-3-methyl-1,4-diazepane-1-carboxylate
(S)-2-amino-4-methyl-4-(3-(2-((S)-2-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl)-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
(S)-4-(3-(4-(4-Acryloylpiperazin-1-yl)-6-((S)-2,4-dimethylpiperazin-1-yl)pyridin-2-yl)-1,2,4-oxadiazol-5-yl)-2-amino-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile