Account (S)-N-(3-([4,5'-Bipyrimidin]-2-ylamino)-4-methylphenyl)-4-((3-(dimethylamino)pyrrolidin-1-yl)methyl)-3-(trifluoromethyl)benzamide
- Catalog No. :
- ACGDNX597
- CAS No. :
- 859212-16-1
- Molecular Formula :
- C30H31F3N8O
- Molecular Weight :
- 576.63
IUPAC Name:(S)-N-(3-([4,5'-bipyrimidin]-2-ylamino)-4-methylphenyl)-4-((3-(dimethylamino)pyrrolidin-1-yl)methyl)-3-(trifluoromethyl)benzamide
![(S)-N-(3-([4,5'-Bipyrimidin]-2-ylamino)-4-methylphenyl)-4-((3-(dimethylamino)pyrrolidin-1-yl)methyl)-3-(trifluoromethyl)benzamide structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (S)-N-(3-([4,5'-Bipyrimidin]-2-ylamino)-4-methylphenyl)-4-((3-(dimethylamino)pyrrolidin-1-yl)methyl)-3-(trifluoromethyl)benzamide |
|---|---|
| IUPAC Name | (S)-N-(3-([4,5'-bipyrimidin]-2-ylamino)-4-methylphenyl)-4-((3-(dimethylamino)pyrrolidin-1-yl)methyl)-3-(trifluoromethyl)benzamide |
| MDL No. | MFCD18633200 |
| Molecular Formula | C30H31F3N8O |
| Molecular Weight | 576.63 |
| SMILES | O=C(NC1=CC=C(C)C(NC2=NC=CC(C3=CN=CN=C3)=N2)=C1)C4=CC=C(CN5C[C@@H](N(C)C)CC5)C(C(F)(F)F)=C4 |
| InChI Key | ZGBAJMQHJDFTQJ-DEOSSOPVSA-N |
| Synonym | NS-187 | AS-13209 | BAFETINIB [MART.] | Bafetinib [USAN:INN] | (S)-N-(3-(4,5'-bipyrimidin-2-ylamino)-4-methylphenyl)-4-((3-(dimethylamino)pyrrolidin-1-yl)methyl)-3-(trifluoromethyl)benzamide | GS-3022 | NSC799354 | NSC-799354 | s1369 | 4-[[(3S)-3-(dimethy |
| CAS No. | 859212-16-1 |
| PubChem CID | 11387605 |
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. ACGDNX597 Molecular Building Block Synthetic Route
(S)-N-(3-([5,5'-Bipyrimidin]-2-ylamino)-4-methylphenyl)-4-((3-(dimethylamino)pyrrolidin-1-yl)methyl)-3-(trifluoromethyl)benzamide
N-(3-([4,5'-bipyrimidin]-2-ylamino)-4-methylphenyl)-4-(bromomethyl)-3-(trifluoromethyl)benzamide
N-(6-Methyl-5-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)pyridin-3-yl)-4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)benzamide