3-甲氧基苯乙基氨基甲酸乙酯 | 33543-63-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 3-甲氧基苯乙基氨基甲酸乙酯
• 英文名称: ethyl (3-methoxyphenethyl)carbamate
• 英文别名: Ethyl 3-methoxyphenethylcarbamate；ethyl N-[2-(3-methoxyphenyl)ethyl]carbamate
• CAS: 33543-63-4
• 化学式: C₁₂H₁₇NO₃
• 分子量: 223.272
• InChiKey: IWWCZJPUOJYRHI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-甲氧基苯乙基氨基甲酸乙酯 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 以94%的产率得到[2-(3-甲氧基苯基)乙基]甲胺
  参考文献：
  名称：

  Xu, Wei; Zhang, Xiao-Ming; Mariano, Patrick S., Journal of the American Chemical Society, 1991, vol. 113, # 23, p. 8863 - 8878

  摘要：

  DOI：
• 作为产物：
  描述：

  ethyl N-[(E)-2-(3-methoxyphenyl)ethenyl]carbamate 在 三乙基硅烷 作用下， 以 三氟乙酸 为溶剂， 反应 0.5h， 以99%的产率得到3-甲氧基苯乙基氨基甲酸乙酯
  参考文献：
  名称：

  Regioselective cationic reduction of 2-aryl-1-N-(ethoxycarbonyl)enamines to 2-arylethylamine carbamates

  摘要：

  2-Aryl-1-N-carboalkoxyenamines (enamides) are selectively reduced to the corresponding 2-arylethylamine carbamates by Et3SiH in the presence of CF3COOH in excellent yields. The reduction proceeds by addition of hydride at C-1 and the rate-limiting step involves proton transfer from CF3COOH. This reduction is useful for preparation of isotopically labeled arylethylamines. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01780-4

文献信息

• Tyrosine Kinase Inhibitor And Uses Thereof
  申请人：Xuanzhu Pharma Co., Ltd.

  公开号：US20170112833A1

  公开（公告）日：2017-04-27

  Disclosed is a compound of Formula (I) or a pharmaceutically acceptable salt, ester, or solvate thereof, or their stereoisomers, which can be used as tyrosine kinase inhibitor. Also disclosed is a method for preparing the compound, a pharmaceutical composition and a kit comprising the compound, and uses of the compound. The compound can be used as tyrosine kinase inhibitor, or can be used to reduce or inhibit activity of EGFR or mutant thereof, such as EGFR mutant comprising T790M mutation, in a cell, or to treat and/or prevent a disease associated with overactivity of EGFR, such as cancer.

  公开了一种公式(I)的化合物或其药物可接受的盐、酯或溶剂，或它们的立体异构体，可用作酪氨酸激酶抑制剂。还公开了制备该化合物的方法、包含该化合物的药物组合物和套件，以及该化合物的用途。该化合物可用作酪氨酸激酶抑制剂，或可用于减少或抑制细胞中EGFR或其突变体的活性，例如包含T790M突变的EGFR突变体，或用于治疗和/或预防与EGFR过度活动相关的疾病，如癌症。
• [EN] SUBSTITUTED PYRIDINE DERIVATIVES AS FABI INHIBITORS<br/>[FR] DÉRIVÉS DE PYRIDINE SUBSTITUÉS EN TANT QU'INHIBITEURS DE FABI
  申请人：AURIGENE DISCOVERY TECH LTD

  公开号：WO2013080222A1

  公开（公告）日：2013-06-06

  The present invention provides substituted pyridine derivatives of formula (I), which may be therapeutically useful as as anti-bacterial agents, more particulalrly FabI inhibitors. Formula(I) in which R1 to R5 and L have the meanings given in the specification, and pharmaceutically acceptable salts thereof that are useful in the treatment and prevention in diseases or disorder, in particular their use in diseases or disorder where there is an advantage anti-bacterial agents, more particularly FabI inhibitors. The present invention also provides methods for synthesizing and administering the FabI inhibitor compounds. The present invention also provides pharmaceutical formulations comprising at least one of the FabI inhibitor compounds together with a pharmaceutically acceptable carrier, diluent or excipient therefor.

  本发明提供了式(I)的取代吡啶衍生物，其可能作为抗细菌剂，特别是FabI抑制剂，具有治疗用途。式(I)中，R1至R5和L具有说明书中给出的含义，以及用于治疗和预防疾病或失调的药用可接受盐，特别是在有优势使用抗细菌剂，尤其是FabI抑制剂的疾病或失调中的用途。本发明还提供了合成和管理FabI抑制剂化合物的方法。本发明还提供了包含至少一种FabI抑制剂化合物和用于其的药用可接受载体、稀释剂或助剂的药物制剂。
• [EN] 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER<br/>[FR] DÉRIVÉS DE 2-[(2-{PHÉNYLAMINO}-1H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)AMINO]BENZAMIDE EN TANT QU'INHIBITEUR D'IGF-1R POUR LE TRAITEMENT DU CANCER
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2009020990A1

  公开（公告）日：2009-02-12

  Novel pyrrolopyrimidines as shown in formula (I) and pharmaceutically acceptable derivatives thereof. The compounds are useful in the inhibition of IGF-1R.

  新型吡咯吡嘧啶如公式(I)所示，及其药用可接受的衍生物。这些化合物在抑制IGF-1R方面是有用的。
• Isoquinolinone derivatives as potent CNS multi-receptor D2/5-HT1A/5-HT2A/5-HT6/5-HT7 agents: Synthesis and pharmacological evaluation
  作者：Jian Jin、Kunxiao Zhang、Fei Dou、Chao Hao、Yifang Zhang、Xudong Cao、Lanchang Gao、Jiaying Xiong、Xin Liu、Bi-Feng Liu、Guisen Zhang、Yin Chen

  DOI：10.1016/j.ejmech.2020.112709

  日期：2020.12

  In this study, a series of novel Isoquinolinone derivatives were synthesized as potential multi-target antipsychotics. Among these, compound 13 showed high affinity for dopamine D2 and serotonin 5-HT1A, 5-HT2A, 5-HT6, and 5-HT7 receptors, showed low affinity for off-target receptors (5-HT2C, H1, and α1), and negligible effects on ether-a-gogo-related gene (hERG; i.e., reduced QT interval prolongation)

  在这项研究中，合成了一系列新型异喹啉酮衍生物作为潜在的多目标抗精神病药。其中，化合物13对多巴胺D 2和5-羟色胺5-HT 1A，5-HT 2A，5-HT 6和5-HT 7受体显示出高亲和力，对脱靶受体（5-HT 2C， ħ 1，α 1），并在醚-A-GOGO相关基因（可忽略影响的hERG;即，减少QT间期延长）。动物行为研究表明，化合物13逆转了APO引起的运动过度，MK-801引起的运动过度和DOI引起的头皮抽搐。而且，与利培酮相比，化合物13表现出高的急性毒性阈值，没有引起僵直的倾向，并且不引起催乳激素分泌或体重增加。此外，在强迫游泳测试，尾巴悬吊测试和新型物体识别测试中，用化合物13进行治疗可改善抑郁症和认知障碍。另外，化合物13在大鼠中具有良好的药代动力学特征。因此，化合物13的抗精神病药样作用表明它可能对开发用于治疗精神分裂症的新型药物有用。
• [EN] FARNESOID X RECEPTOR AGONISTS<br/>[FR] AGONISTES DU RÉCEPTEUR DE FARNÉSOÏDE X
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2009005998A1

  公开（公告）日：2009-01-08

  The present invention relates to famesoid X receptors (FXR, NR1H4) FXR is a member of the nuclear receptor class of ligand-activate transcription factors More particularly, the present invention relates to compounds useful as agonists for FXR, pharmaceutical formulations comprising such compounds, and therapeutic use of the same Novel isoxazole compounds are disclosed as part of pharmaceutical compositions for the treatment of a condition mediated by decreased FXR activity, such as obesity, diabetes, cholestatic liver disease, liver fibrosis, and metabolic syndrome

  本发明涉及法内索德X受体（FXR，NR1H4）。FXR是配体激活的转录因子核受体类的一个成员。更具体地说，本发明涉及作为FXR激动剂的化合物，包含该化合物的药物制剂，以及同一治疗用途。新颖的异恶唑化合物被披露作为药物组合物的一部分，用于治疗由FXR活性降低介导的状况，如肥胖、糖尿病、胆汁淤积性肝病、肝纤维化和代谢综合征。