| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1613220-15-7 |
| Catalog No. | 2A-3166845 |
| Chinese Name | 甲苯磺酸尼拉帕尼一水合物 |
| Synonyms | 2-{4-[(3S)-3-Piperidinyl]phenyl}-2H-indazole-7-carboxamide 4-methylbenzenesulfonate hydrate (1:1:1) |
| Molecular Formula | C26H30N4O5S |
| Molecular Weight | 510.605 |
| Purity | 99 |
| Storage Condition | room temperature, inert gas |
| Application | Nilapril hydrate (MK-4827) tosylate is a highly efficient orally bioavailable PARP1 and PARP2 inhibitor with IC50s of 3.8 and 2.1 nM respectively. Nilapril p-toluenesulfonyl hydrate can inhibit the re |
| PubChem ID | 184525700 |
| SMILES | Cc1ccc(S(=O)(=O)O)cc1.NC(=O)c1cccc2cn(-c3ccc(C4CCCNC4)cc3)nc12.O |
| InChI | InChI=1S/C19H20N4O.C7H8O3S.H2O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14;1-6-2-4-7(5-3-6)11(8,9)10;/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24);2-5H,1H3,(H,8,9,10);1H2/t14-;;/m1../s1 |
| InChI Key | ACNPUCQQZDAPJH-FMOMHUKBSA-N |
| Transport Info | Product name: (S)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide 4-methylbenzenesulfonate hydrate |
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