AV-412
基本情報
- CAS
451493-31-5- 標準SMILES
C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1C#CC(C)(C)N1CCN(C)CC1.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1- InChIKey
GTWJVFFZCKODEV-UHFFFAOYSA-N- 分子式
- C41H44ClFN6O7S2
- 平均分子量
- 851.4 g/mol
- 単同位体質量
- 850.238546
概要
EGFR/HER2 Inhibitor AV-412 is a second-generation, orally bioavailable dual kinase inhibitor with potential antineoplastic activity. EGFR/HER2 inhibitor AV-412 binds to and inhibits the epidermal growth factor receptor (EGFR) and the human epidermal growth factor receptor 2 (HER2), which may result in the inhibition of tumor growth and angiogenesis, and tumor regression in EGFR/HER2-expressing tumors. This agent may be active against EGFR/HER2-expressing tumor cells that are resistant to first-generation kinase inhibitors. EGFR and HER2 are receptor tyrosine kinases that play major roles in tumor cell proliferation and tumor vascularization.
名称と識別子
- 優先名称
- AV-412
- IUPAC
- N-[4-(3-chloro-4-fluoroanilino)-7-[3-methyl-3-(4-methylpiperazin-1-yl)but-1-ynyl]quinazolin-6-yl]prop-2-enamide;bis(4-methylbenzenesulfonic acid)
- 英語名
- 2-PropenaMide, N-[4-[(3-chloro-4-fluorophenyl)aMino]-7-[3-Methyl-3-(4-Methyl-1-piperazinyl)-1-butyn-1-yl]-6-quinazolinyl]-, 4-Methylbenzenesulfonate (1:2)
- 分子式
- C41H44ClFN6O7S2
- 分子量
- 851.4054632
名称と別名
AV-412AV412AV 412MP 412AV412 cpdMP412 cpdMP-412 DITOSYLATEZ541VW0W40RefChem:115726bis(4-methylbenzene-1-sulfonic acid); N-(4-((3-chloro-4-fluorophenyl)amino)-7-(3-methyl-3-(4-methylpiperazin-1-yl)but-1-yn-1-yl)quinazolin-6-yl)prop-2-enamide451493-31-5AV-412 Tosylate
名称をさらに表示
AV-412 / MP-412AV-412, 10 mM in DMSOAV412,EGFR,MP-412,Inhibitor,inhibit,MP 412,HER1,Epidermal growth factor receptor,AV 412,AV-412,ErbB-1N-[4-(3-Chloro-4-fluoroanilino)-7-[3-methyl-3-(4-methylpiperazin-1-yl)but-1-ynyl]quinazolin-6-yl]prop-2-enamide tosylateN-[4-(3-chloro-4-fluoroanilino)-7-[3-methyl-3-(4-methylpiperazin-1-yl)but-1-ynyl]quinazolin-6-yl]prop-2-enamide,4-methylbenzenesulfonic acid
MP-412N-(4-((3-Chloro-4-fluorophenyl)amino)-7-(3-methyl-3-(4-methylpiperazin-1-yl)but-1-yn-1-yl)quinazolin-6-yl)acrylamide bis(4-methylbenzenesulfonate)MP4122-Propenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[3-methyl-3-(4-methyl-1-piperazinyl)-1-butyn-1-yl]-6-quinazolinyl]-, 4-methylbenzenesulfonate (1:2)UNII-Z541VW0W40AV-412 mesylate451493-31-5 (tosylate)N-(4-((3-chloro-4-fluorophenyl)amino)-7-(3-methyl-3-(4-methyl-1-piperazinyl)-1-butyn-1-yl)-6-quinazolinyl)acrylamide
物性
構造計算による物性
- 極性表面積
- 199 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 13
- 回転可能結合数
- 9
- 重原子数
- 58
- 形式電荷
- 0
- 複雑度
- 1,060
物理化学的性質
- 貯蔵温度
- -20 °C · Store at -20°C
- 溶解性
- 21.5 · DMSO:21.5(Max Conc. mg/mL);25.29(Max Conc. mM)DMSO:PBS (pH 7.2) (1:3):0.25(Max Conc. mg/mL);0.29(Max Conc. mM)DMF:15.0(Max Conc. mg/mL);17.64(Max Conc. mM)Ethanol:0.25(Max Conc. mg/mL);0.29(Max Conc. mM)
- 外見
- Powder
- 色
- Light yellow to green yellow
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
安全データ
- 注意喚起語
- 警告
- 危険有害性情報
- コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H302
化学と産業
薬理情報
Mechanism of Action
AV-412 shows potent inhibition of the EGFR L858R mutations and, in two well-established animal models, demonstrated dose-dependant tumor regression in both small and large lung tumors and complete regression of lung tumors at a dose where erlotinib is inactive. AV-412's mechanism of action has the potential to benefit patients with Non-Small Cell Lung Cancer, Metastatic Breast Cancer, Pancreatic Cancer, Head & Neck Cancer and Hormone Refractory Prostate Cancer.
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Agents that inhibit PROTEIN KINASES.
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