Account 6-(4-Ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-7-fluoro-4-isopropyl-2-(o-tolyl)isoquinolin-1(2H)-one
- Catalog No. :
- ACLRUD539
- CAS No. :
- 2511248-11-4
- Molecular Formula :
- C24H25FN4O3
- Molecular Weight :
- 436.49
IUPAC Name:6-(4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-7-fluoro-4-isopropyl-2-(o-tolyl)isoquinolin-1(2H)-one
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Product Information
| Product Name | 6-(4-Ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-7-fluoro-4-isopropyl-2-(o-tolyl)isoquinolin-1(2H)-one |
|---|---|
| IUPAC Name | 6-(4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-7-fluoro-4-isopropyl-2-(o-tolyl)isoquinolin-1(2H)-one |
| Molecular Formula | C24H25FN4O3 |
| Molecular Weight | 436.49 |
| SMILES | O=C1N(C2=CC=CC=C2C)C=C(C(C)C)C3=C1C=C(F)C(N4N=C(CO)N(CC)C4=O)=C3 |
| InChI Key | BZKHQYHQHLKJNX-UHFFFAOYSA-N |
| Synonym | 6-(4-Ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-7-fluoro-4-isopropyl-2-(o-tolyl)isoquinolin-1(2H)-one;DHODH-IN-16;DNA/RNA Synthesis,inhibit,Dihydroorotate Dehydrogenase,Inhibitor,antiproliferative,DHODH IN 16,DHODH,DHODHIN16;1(2H)-Isoquinolinone, 6-[4-ethyl-4,5-dihydro-3-(hydroxymethyl)-5-oxo-1H-1,2,4-triazol-1-yl]-7-fluoro-4-(1-methylethyl)-2-(2-methylphenyl)-;6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-(propan-2-yl)-1,2-dihydroisoquinolin-1-one;DHODH-IN-16, 10 mM in DMSO |
| CAS No. | 2511248-11-4 |
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. ACLRUD539 Molecular Building Block Synthetic Route
(S)-N-(2-Chloro-6-fluorophenyl)-4-(4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-5-fluoro-2-((1,1,1-trifluoropropan-2-yl)oxy)benzamide
DHODH-IN-21
DHODH-IN-18