Account BCR-ABL-IN-2
- Catalog No. :
- ACERLE187
- CAS No. :
- 897369-18-5
- Molecular Formula :
- C24H25Cl2N5O3
- Molecular Weight :
- 502.40
IUPAC Name:(S)-6-(3-(tert-butyl)-5-(3-(2,3-dichlorophenyl)ureido)-1H-pyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
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Product Information
| Product Name | BCR-ABL-IN-2 |
|---|---|
| IUPAC Name | (S)-6-(3-(tert-butyl)-5-(3-(2,3-dichlorophenyl)ureido)-1H-pyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid |
| Molecular Formula | C24H25Cl2N5O3 |
| Molecular Weight | 502.40 |
| SMILES | O=C([C@H]1NCC2=C(C=C(N3N=C(C(C)(C)C)C=C3NC(NC4=CC=CC(Cl)=C4Cl)=O)C=C2)C1)O |
| InChI Key | CMUVVEBHULJOFP-SFHVURJKSA-N |
| Synonym | (S)-6-(3-(tert-Butyl)-5-(3-(2,3-dichlorophenyl)ureido)-1H-pyrazol-1-yl)-1,2,3,4-tetrahydroisoq;BCR-ABL-IN-2;3-Isoquinolinecarboxylic acid, 6-[5-[[[(2,3-dichlorophenyl)amino]carbonyl]amino]-3-(1,1-dimethylethyl)-1H-pyrazol-1-yl]-1,2,3,4-tetrahydro-, (3S)-;BCR ABL IN 2,BCRABLIN2 |
| CAS No. | 897369-18-5 |
Synthetic Route by SureRoute
2. ACERLE187 Molecular Building Block Synthetic Route
1-(1-(3-Aminophenyl)-3-(tert-butyl)-1H-pyrazol-5-yl)-3-(2,3-dichlorophenyl)urea
1-(1-(3-(Aminomethyl)phenyl)-3-(tert-butyl)-1H-pyrazol-5-yl)-3-(4-chlorophenyl)urea
1-(3-(tert-Butyl)-1-(quinolin-6-yl)-1H-pyrazol-5-yl)-3-(2,3-dichlorophenyl)urea