N-[3-(Trifluoromethyl)phenyl]glycine methyl ester | 126689-78-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-[3-(Trifluoromethyl)phenyl]glycine methyl ester
• 英文别名: methyl (3-(trifluoromethyl)phenyl)glycinate；3-trifluoromethylphenylglycine methyl ester；Methyl 2-[3-(trifluoromethyl)anilino]acetate
• CAS: 126689-78-9
• 化学式: C₁₀H₁₀F₃NO₂
• mdl: MFCD03117476
• 分子量: 233.19
• InChiKey: NXDJBFSBMWZWMC-UHFFFAOYSA-N

物化性质

• 沸点：
  268.4±40.0 °C(Predicted)
• 密度：
  1.303±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-[3-(Trifluoromethyl)phenyl]glycine methyl ester 、 1-苄基吲哚-3-甲醛 在 NaBH₃CN 作用下， 以2.29 g (86%)的产率得到Methyl (+/-)-α-(1-phenylmethyl-3-indolylmethyl)amino-(3-trifluoromethylphenyl) acetate
  参考文献：
  名称：

  .alpha.-amino-indole-3-acetic acids useful as anti-diabetic,

  摘要：

  提供了具有以下结构的新型α-氨基吲哚-3-乙酸衍生物的药物，其中R到R9如规范中定义，并且其中R.sub.9不是OM的化合物的药理学可接受的盐，这些化合物可用作抗糖尿病、抗肥胖和抗动脉粥样硬化药物。

  公开号：

  US05245046A1
• 作为产物：
  描述：

  间氨基三氟甲苯 、 溴乙酸甲酯 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-[3-(Trifluoromethyl)phenyl]glycine methyl ester
  参考文献：
  名称：

  Synthesis and biological evaluation of 1,4-diazepane derivatives as T-type calcium channel blockers

  摘要：

  We have synthesized and biologically evaluated 1,4-diazepane derivatives as T-type calcium channel blockers. In this study, we discovered compound 4s, a potential T-type calcium channel blocker with good selectivity over hERG and N-type calcium channels. In addition, it exhibited favorable pharmacokinetic characteristics for further investigation of T-type calcium channel related diseases. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.03.084

文献信息

• Chemical compounds
  申请人：Glaxo Group Limited

  公开号：US05023255A1

  公开（公告）日：1991-06-11

  Triazine derivatives of formula (I) ##STR1## or salts thereof, wherein R.sup.1 represents a halogen atom or a group selected from hydroxy; C.sub.1-8 alkyl C.sub.1-6 alkoxy; C.sub.1-3 alkoxy C.sub.1-3 alkoxy; phenoxy or phenyl C.sub.1-3 alkoxy, wherein the phenyl group is optionally substituted by a halogen atom or a group selected from C.sub.1-3 alkyl, C.sub.1-3 alkoxy, or hydroxy; fluoro C.sub.1-3 alkyl; cyano; --CO.sub.2 R.sup.3, wherein R.sup.3 represents a hydrogen atom or a C.sub.1-4 alkyl group; --CONR.sup.4 R.sup.5, wherein R.sup.4 and R.sup.5 each independently represents a hydrogen atom or a C.sub.1-4 alkyl group, or, together with the nitrogen atom to which they are attached, form a saturated 5- to 7- membered ring, which ring optionally contains one or more atoms selected from an oxygen or a sulphur atom, or a group selected from --NH-- or --N(CH.sub.3)--; and R.sup.2 represents a hydrogen or halogen atom, or a group selected from hydroxy, C.sub.1-6 alkyl or C.sub.1-6 alkoxy; are inhibitors of the enzyme 5-lipoxygenase. Processes for preparing the triazine derivatives of formula (I) and compositions containing them are also described.

  式(I)的三嗪衍生物或其盐，其中R.sup.1代表卤原子或从羟基中选择的基团; C.sub.1-8烷基C.sub.1-6烷氧基; C.sub.1-3烷氧基C.sub.1-3烷氧基; 苯氧基或苯基C.sub.1-3烷氧基，其中苯基可选择地被卤原子或从C.sub.1-3烷基，C.sub.1-3烷氧基或羟基中选择的基团取代; 氟代C.sub.1-3烷基; 氰基; --CO.sub.2R.sup.3，其中R.sup.3代表氢原子或C.sub.1-4烷基; --CONR.sup.4R.sup.5，其中R.sup.4和R.sup.5各自独立地代表氢原子或C.sub.1-4烷基，或者与它们连接的氮原子一起形成饱和的5-至7-成员环，该环可选择地含有一个或多个从氧原子或硫原子中选择的原子，或从--NH--或--N(CH.sub.3)--中选择的基团; 和R.sup.2代表氢或卤原子，或从羟基，C.sub.1-6烷基或C.sub.1-6烷氧基中选择的基团; 是5-脂氧合酶的抑制剂。还描述了制备式(I)的三嗪衍生物的方法和含有它们的组合物。
• [EN] HYDANTOIN DERIVATIVE<br/>[FR] DÉRIVÉ D'HYDANTOÏNE
  申请人：ONO PHARMACEUTICAL CO

  公开号：WO2021043245A1

  公开（公告）日：2021-03-11

  A compound represented by general formula (I-a) : has a strong DDR1 inhibitory activity, and can be a therapeutic agent for DDR1-related diseases, for example, a cancer, a kidney disease, a cardiovascular disease, a central nervous system disease, or fibrosis.

  一种由一般化学式（I-a）表示的化合物具有强大的DDR1抑制活性，可作为DDR1相关疾病的治疗药物，例如癌症、肾脏疾病、心血管疾病、中枢神经系统疾病或纤维化病。
• Triazine derivatives
  申请人：Glaxo Group Limited

  公开号：US04985427A1

  公开（公告）日：1991-01-15

  Compounds of formula (I) ##STR1## wherein R.sup.1 is selected from the group consisting of hydrogen, halogen, hydroxy, C.sub.1-6 alkyl, C.sub.1-6 alkoxy, phenylC.sub.1-3 alkoxy (in which the phenyl group is optionally substituted by a substituent selected from halogen, C.sub.1-3 alkyl, C.sub.1-3 alkoxy and hydroxy), nitro, trifluoromethyl, cyano, --CO.sub.2 R.sup.3 (wherein R.sup.3 is selected from hydrogen and C.sub.1-4 alkyl) and --CONR.sup.4 R.sup.5 (wherein R.sup.4 and R.sup.5 are each independently selected from hydrogen and C.sub.1-4 alkyl, or R.sup.4 and R.sup.5 together with the nitrogen atom to which they are attached form a saturated 5- to 7- membered ring, which ring optionally contains one or more groups or atoms selected from oxygen, sulphur, --NH-- and --N(CH.sub.3)--); and R.sup.2 is selected from the group consisting of hydrogen, halogen, hydroxy, C.sub.1-6 alkyl and C.sub.1-6 alkoxy; and salts thereof are inhibitors of the enzyme 5-lipoxygenase. Processes for preparing the compounds of formula (I) and compositions containing them are also described.

  化合物的式(I) ##STR1## 其中R.sup.1选自以下组成的群：氢、卤素、羟基、C.sub.1-6烷基、C.sub.1-6烷氧基、苯基C.sub.1-3烷氧基（其中苯基可选择地被卤素、C.sub.1-3烷基、C.sub.1-3烷氧基和羟基的取代基取代）、硝基、三氟甲基、氰基、--CO.sub.2R.sup.3（其中R.sup.3选自氢和C.sub.1-4烷基）和--CONR.sup.4R.sup.5（其中R.sup.4和R.sup.5各自独立地选自氢和C.sub.1-4烷基，或R.sup.4和R.sup.5与它们附着的氮原子一起形成饱和的5-至7-成员环，该环可选择地包含一个或多个从氧、硫、--NH--和--N(CH.sub.3)--中选择的基团或原子）； R.sup.2选自以下组成的群：氢、卤素、羟基、C.sub.1-6烷基和C.sub.1-6烷氧基；及其盐是5-脂氧合酶酶的抑制剂。还描述了制备式(I)化合物的过程和含有它们的组合物。
• Alpha-amino-indole-3-acetic acids useful as anti-diabetic, anti-obesity and anti-atherosclerotic agents
  申请人：THE UPJOHN COMPANY

  公开号：EP0375133A1

  公开（公告）日：1990-06-27

  Provided are novel α-aminoindole-3-acetic acid derivatives having the formula wherein R through R9 are the same as in Claim 1; and pharmacologically acceptable salts of compounds wherein R₉ is not OM, which are useful as anti-diabetic, anti-obesity and anti-athero­sclerotic agents.

  本发明提供了新型α-氨基吲哚-3-乙酸衍生物，其式为 其中 R 至 R9 与权利要求 1 中的相同；以及其中 R𠢙 不为 OM 的化合物的药理学上可接受的盐，可用作抗糖尿病、抗肥胖和抗动脉粥样硬化药物。
• HYDANTOIN DERIVATIVE
  申请人：ONO Pharmaceutical Co., Ltd.

  公开号：EP4025570A1

  公开（公告）日：2022-07-13