![N-(1,1-Dimethylethyl)-3-[[5-methyl-2-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]amino]-4-pyrimidinyl]amino]benzenesulfonamide hydrochloride hydrate (1:2:1) structure, CAS 1374744-69-0](/structures/180000/171010_2_1374744_69_0.png)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1374744-69-0 |
| Catalog No. | 2A-1170829 |
| Chinese Name | Fedratinib hydrochloride hydrate |
| Synonyms | UH9J2HBQWJ |
| Molecular Formula | C27H40Cl2N6O4S |
| Molecular Weight | 615.615 |
| Application | Fedratinib hydrochloride hydrate (TG-101348 hydrochloride hydrate) is a potent, selective, ATP-competitive and orally active JAK2 inhibitor with an IC50 of 3 nM for both JAK2 and JAK2V617F kinase. Fed |
| PubChem ID | 272999643 |
| SMILES | Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1.Cl.Cl.O |
| InChI | InChI=1S/C27H36N6O3S.2ClH.H2O/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4;;;/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31);2*1H;1H2 |
| InChI Key | QAFZLTVOFJHYDF-UHFFFAOYSA-N |
| Transport Info | Product name: N-(tert-butyl)-3-((5-methyl-2-((4-(2-pyrrolidin-1-yl)ethoxy)phenyl)amino)pyrimidin-4-yl)amino)benzenesulfonamide dihydrochloride hydrate |
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