Introduction：Basic information about CAS 900573-88-8|JI-101, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | JI-101 |
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| CAS Number | 900573-88-8 | Molecular Weight | 466.33100 |
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| Density | / | Boiling Point | / |
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| Molecular Formula | C22H20BrN5O2 | Melting Point | / |
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| MSDS | / | Flash Point | / |
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Names
| Name | 1-[1-[(2-aminopyridin-4-yl)methyl]indol-4-yl]-3-(5-bromo-2-methoxyphenyl)urea |
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| Synonym | More Synonyms |
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JI-101 BiologicalActivity
| Description | JI-101 is an orally available multi-kinase inhibitor of VEGFR2，PDGFRβ and EphB4 with potent anti-cancer activity. |
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| Related Catalog | Signaling Pathways >>Protein Tyrosine Kinase/RTK >>Ephrin ReceptorResearch Areas >>Cardiovascular Disease |
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| Target | VEGFR2 PDGFRβ |
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| In Vitro | JI-101 is found to be stable in all preclinical and human liver microsomes. The % metabolized is ranged between 3.03-3.95 across the tested species liver microsomes. The % metabolized is relatively higher in mice liver microsomes followed by dog, human and rat liver microsomes[1]. |
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| In Vivo | JI-101excreted through bile along with its mono- and di-hydroxy metabolites. Following oral administration, JI-101 is rapidly absorbed, reaching Cmax within 2 h. The t1/2 of JI-101 with intravenous and oral route is found to be 1.75±0.79 and 2.66±0.13 h, respectively. The Cl and Vd by intravenous route for JI-101 are found to be 13.0±2.62 mL/min/kg and 2.11±1.42 L/kg, respectively. The tissue distribution of JI-101 is extensive with rapid and preferred uptake into lung tissue. Overall, the oral bioavailability of JI-101 is 55% and the primary route of elimination for JI-101 is feces[1]. |
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| Animal Admin | Rats: Pharmacokinetics and bioavailability assessment of JI-101 are evaluated in a preliminary parallel-group study in male S.D. rats. Four rats (195–210 g) per route receive JI-101 at a dose of 3 and 30 mg/kg for i. v. (via tail vein) and oral dose (by gavage), respectively. Serial blood samples (100 μL) are collected from retro-orbital plexus at pre-dose, 0.12 ( i. v. only) 0.25, 0.5, 1, 2, 4, 8, 10 (oral only) and 24 h. Blood samples are collected in tubes containing K2 EDTA as the anticoagulant and centrifuged for 5 min maintained at 4 °C for plasma separation and stored frozen at −80±10 °C until analysis[1]. |
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| References | [1]. Gurav SD, et al. Pharmacokinetics, tissue distribution and identification of putative metabolites of JI-101 - a novel triple kinase inhibitor in rats. Arzneimittelforschung. 2012 Jan;62(1):27-34. |
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Chemical & Physical Properties
| Molecular Formula | C22H20BrN5O2 |
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| Molecular Weight | 466.33100 |
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| Exact Mass | 465.08000 |
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| PSA | 98.42000 |
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| LogP | 5.09860 |
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| InChIKey | ZXBFYBLSJMEBEP-UHFFFAOYSA-N |
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| SMILES | COc1ccc(Br)cc1NC(=O)Nc1cccc2c1ccn2Cc1ccnc(N)c1 |
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| Storage condition | 2-8℃ |
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Synonyms
| ji-101 |
| unii-980m4n37dh |
| cgi-1842 |
