Bms-690514 BMS-690514
CAS 859853-30-8 MFCD18633295
化学结构图
SMILES: COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1
化学属性
| Mol. Weight | 368.43 |
|---|---|
| Mol. Formula | C19H24N6O2 |
| Appearance | Solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| Chemical Name | BMS-690514 |
|---|---|
| CAS Number | 859853-30-8 |
| Alfabeta Name | AMINOMETHOXYPHENYLAMINOPYRROLOTRIAZINYLMETHYLPIPERIDINOL RRF3441432112453[[[[[]]]]](())------------,,,, |
| MDL Number | MFCD18633295 |
| LabNetwork Molecule ID | LN00169691 |
| Chemical Name Translation | BMS-690514 |
| PubChem Substance ID | 11349170 |
| InChI | InChI=1S/C19H24N6O2/c1-27-15-4-2-3-14(9-15)23-19-18-13(5-8-25(18)22-12-21-19)10-24-7-6-16(20)17(26)11-24/h2-5,8-9,12,16-17,26H,6-7,10-11,20H2,1H3,(H,21,22,23)/t16-,17-/m1/s1 |
| Synonym | (14C)BMS-690514 (3R,4R)-4-amino-1-((4-((3-methoxyphenyl)amino)pyrrolo(2,1-f)(1,2,4)triazin-5-yl)methyl)-3-piperidinol BMS-690514 BMS690514; BMS 690514; BMS-690514. |
| Formula | C19H24N6O2 |
| IUPAC Name | (3R,4R)-4-Amino-1-[[4-[(3-methoxyphenyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperidin-3-ol |
| InChIKey | CSGQVNMSRKWUSH-IAGOWNOFSA-N |
| Canonical SMILES | O[C@@H]1CN(CC2=C3C(NC4=CC=CC(OC)=C4)=NC=NN3C=C2)CC[C@H]1N |
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产品应用
- BMS-690514 is a potent inhibitor of human epidermal growth factor receptor (HER) 1 (EGFR), 2, and 4, and vascular endothelial growth factor receptors (VEGFR) 1-3. BMS-690514 is currently under investigation as an oral agent for the treatment of solid tumors. In vitro and in vivo studies were conducted to characterize the pharmacokinetics and metabolism. Through integration of in vitro and in vivo pharmacokinetic data and antitumor efficacy in nude mice, human pharmacokinetics and efficacious doses were projected for BMS-690514. The oral bioavailability of BMS-690514 was 78% in mice, approximately 100% in rats, 8% in monkeys, and 29% in dogs. The low oral bioavailability in monkeys could be attributed to high systemic clearance in that species, which was also consistent with predicted clearance using in vitro data from monkey liver microsomes. The preclinical ADME properties of BMS-690514 suggest good oral bioavailability in humans and metabolism by multiple pathways including oxidation
