CAS: 915363-56-3; Cot Inhibitor-2
该化合物是一个复杂的有机化合物,其特点是多功能结构,包括一个quinline核,各种卤素替代物和管道动物.该化合物具有氯和氟组的特点,可影响其生物活动和亲脂性.三硝酸三甲醚的存在表明有可能与生物目标发生相互作用,使其对医药化学,特别是药品的开发具有兴趣.其碳三联体组可能有助于其再活性和溶解性.功能组的复杂安排表明,该化合物可能会在各种生物路径中产生特定的危害性,有可能起到抑制或调节作用.由于其复杂性,合成和定性需要先进的有机化学技术,其安全和处理需要按照标准实验室规程进行评估.
- 英文名称Cot Inhibitor-2
- 中文名称8-氯-4-[(3-氯-4-氟苯基)氨基]-6-[[[1-(1-乙基哌啶-4-基)-1H-1,2,3-三唑-4-基]甲基]氨基]喹啉-3-甲腈
- IUPAC名称8-chloro-4-((3-chloro-4-fluorophenyl)amino)-6-(((1-(1-ethylpiperidin-4-yl)-1H-1,2,3-triazol-4-yl)methyl)amino)quinoline-3-carbonitrile
- 其它别名8-Chloro-4-(3-Chloro-4-Fluoroanilino)-6-[[1-(1-Ethylpiperidin-4-yl)Triazol-4-Yl]Methylamino]Quinoline-3-Carbonitrile; Sub
- CAS编号915363-56-3
- MFCD编号:MFCD13184702
- 分子式:C26H25Cl2FN8分子量:539.45
- 产品CID: 1952102
- 产品分类有机原料 → 有机氟化合物 → 氟苯腈系列
物理性质
- 沸点713.3 °C at 760 mmHg
- 闪点385.2 °C
- 密度1.45
- pKa:8.62±0.10(预测)
- PSA:94.69
- LogP:6.24028
- 折射率1.702
- 蒸汽压3.41E-20 mmHg at 25 °C
- 溶解性DMSO: ≥ 100 mg/mL (185.38 Mm)
- 外观形态淡黄色至绿黄色粉末
- 储存条件储存在 -20°C
- 产品应用该化合物是COT(TPL2/ MAP3K8)的强效,选择性和口服活性抑制剂,IC50为1.6纳米米;它抑制LPS引起的全人类血液TNF-Α生产(IC50=0.3微克M),并抑制SPRAGUE-DAWLEY雌性大鼠在25毫克/千克口服剂量下生产LPS引起的TNV-Α.
MSDS等安全信息
上下游产品
CAS号915364-18-0 6-氨基-8-氯-4-[(3-... | CAS号1175146-85-6 1-(1-乙基哌啶-4-基)-...合成工艺路线路线简述
- 1175146-85-6 + 915364-18-0 = 915363-56-3
反应条件:1.1 Reagents: Sodium Triacetoxyborohydride Solvents: 1,2-Dichloroethane; 4 H,Rt
标题:Selective Inhibitors Of Tumor Progression Loci-2 (Tpl2) Kinase With Potent Inhibition Of Tnf-α Production In Human Whole Blood
作者:Wu,Junjun; Green,Neal; Hotchandani,Rajeev; Hu,Yonghan; Condon,Jeffrey; Et Al
参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2009 卷标:19(13) 页码:3485-3488
📜6-氨基-8-氯-4-[(3-氯-4-氟苯基)氨基]-3-喹啉甲腈,1-(1-乙基哌啶-4-基)三唑-4-甲醛置于三乙酰氧基硼氢化钠体系中,用 1,2-二氯乙烷 作为反应溶剂,化学反应 4.0H,反应生成 8-氯-4-[(3-氯-4-氟苯基)氨基]-6-[[[1-(1-乙基哌啶-4-基)-1H-1,2,3-三唑-4-基]甲基]氨基]喹啉-3-甲腈
参考文献:Selective Inhibitors Of Tumor Progression Loci-2 (Tpl2) Kinase With Potent Inhibition Of Tnf-α Production In Human Whole Blood
标题:Selective Inhibitors Of Tumor Progression Loci-2 (Tpl2) Kinase With Potent Inhibition Of Tnf-α Production In Human Whole Blood
摘要:Tpl2 (Cot/map3K8) Is An Upstream Kinase Of Mek In The Erk Pathway. It Plays An Important Role In Tumor Necrosis Factor-Alpha (Tnf-Alpha) Production And Signaling. We Have Discovered That 8-Halo-4-(3-Chloro-4-Fluorophenylamino)-6-[(1H-[1,2,3]Triazol-4-Ylmethyl)-Amino]-Quinoline-3-Carbonitriles (4) Are Potent Inhibitors Of This Enzyme. In Order To Improve The Inhibition Of Tnf-Alpha Production In Lps-Stimulated Human Blood,A Series Of Analogs With A Variety Of Substitutions Around The Triazole Moiety Were Studied. We Found That A Cyclic Amine Group Appended To The Triazole Ring Could Considerably Enhance Potency,Aqueous Solubility,And Cell Membrane Permeability. Optimization Of These Cyclic Amine Groups Led To The Identification Of 8-Chloro-4-(3-Chloro-4-Fluorophenylamino)-6-((1-(1-Ethylpiperidin-4-yl)-1H-1,2,3-Triazol-4-yl) Methylamino)Quinoline-3-Carbonitrile (34). In A Lps-Stimulated Rat Inflammation Model,Compound 34 Showed Good Efficacy In Inhibiting Tnf-Alpha Production. (C) 2009 Elsevier Ltd. All Rights Reserved.
DOI:10.1016/j.Bmcl.2009.05.009
海关参考信息
- 2903919090-氯苯
2933310010-吡啶
2926909090-其他腈基化合物
2901100000-饱和无环烃 - 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
- 详情请参考：📖 海关编码查询和海关进出口税则
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📌 第三方产品分析报告
合成参考文献
参考文献:10.1124/mol.119.115964
摘要:Lee TD, Lee OW, Brimacombe KR, Chen L, Guha R, Lusvarghi S, Tebase BG, Klumpp-Thomas C, Robey RW, Ambudkar SV, Shen M, Gottesman MM, Hall MD. A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Molecular Pharmacology. 2019 Nov;96(5):629–40. doi: 10.1124/mol.119.115964.
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