ethyl 3-amino-4-chlorobenzoate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl 3-amino-4-chlorobenzoate
• 英文别名: 3-amino-4-chloro-benzoic acid ethyl ester；3-amino-4-chlorobenzoic acid ethyl ester
• 化学式: C₉H₁₀ClNO₂
• mdl: MFCD11174592
• 分子量: 199.637
• InChiKey: PZWBBVLRCWNTDT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl 3-amino-4-chlorobenzoate 在 吡啶 、 sodium hydroxide 、 氯化亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 16.59h， 生成 4-Chloro-3-[(dimethylsulfamoyl)amino]-N-phenylbenzamide
  参考文献：
  名称：

  Synthesis and antiviral activity of sulfonamidobenzophenone oximes and sulfonamidobenzamides

  摘要：

  To find antiviral agents, various sulfonamidobenzophenone oximes (II) were synthesized from the appropriate m-sulfonamidobenzophenones by hydroxylamine reaction. The reaction products were generally obtained as syn/anti mixtures which were separable by fractional crystallization. The anti isomer had more potent antipoliovirus activity than the syn isomer. Various sulfonamidobenzamides (III) which were structurally related to II were synthesized by the reactions of amino-substituted benzamides with sulfuryl chloride or amines with (aminosulfonyl)benzoyl chloride. Antiviral activity was examined by the plaque-inhibition test. Compounds 5, 36, and 69 exhibited strong antipicornavirus activity. The structure-activity relationships are discussed.

  DOI：

  10.1021/jm00153a018
• 作为产物：
  描述：

  4-氯-3-硝基苯甲酸乙酯 在 锌 乙酸乙酯 、 disodium;carbonate 、 水 作用下， 以 乙腈 、 乙醇 、 盐酸 为溶剂， 反应 18.0h， 以to give crude 3-amino-4-chloro-benzoic acid ethyl ester的产率得到ethyl 3-amino-4-chlorobenzoate
  参考文献：
  名称：

  PYRIDO PYRIMIDINES

  摘要：

  描述了化学式的化合物及其药物可接受的盐，以及包含该化合物及其药物可接受的盐的制药组合物，以及用于治疗、控制或改善增殖性疾病，包括癌症、唐氏综合症或早发性阿尔茨海默病的该化合物和制药组合物的用途。

  公开号：

  US20120184542A1

文献信息

• Substituted benzamides with activity towards EP4 receptors
  申请人：Almirall, S.A.

  公开号：EP2765128A1

  公开（公告）日：2014-08-13

  The present invention belongs to the field of EP4 receptor ligands. More specifically it refers to compounds of general formula (I) having great affinity and selectivity for the EP4 receptor. The invention also refers to the process for their preparation, to their use as medicament for the treatment and/or prophylaxis of diseases or disorders mediated by the EP4 receptor as well as to pharmaceutical compositions comprising them.

  这项发明属于EP4受体配体领域。更具体地，它涉及具有对EP4受体具有很高亲和力和选择性的一般式(I)化合物。该发明还涉及它们的制备过程，以及它们作为药物用于治疗和/或预防由EP4受体介导的疾病或紊乱，以及包含它们的药物组合物。
• [EN] COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS<br/>[FR] COMPOSÉS, COMPOSITIONS, ET PROCÉDÉS POUR MODULER LA FERROPTOSE ET TRAITER DES TROUBLES EXCITOTOXIQUES
  申请人：UNIV COLUMBIA

  公开号：WO2013152039A1

  公开（公告）日：2013-10-10

  The present invention provides, inter alia, a compound having the structure: (Formula (I). Also provided are compositions containing a pharmaceutically acceptable carrier and a compound according to the present invention. Further provided are methods for treating or ameliorating the effects of an excitotoxic disorder in a subject, methods of modulating ferroptosis in a subject, methods of reducing reactive oxygen species (ROS) in a cell, and methods for treating or ameliorating the effects of a neurodegenerative disease.

  本发明提供了一种具有以下结构的化合物：（化学式（I）。还提供了含有药用载体和根据本发明的化合物的组合物。进一步提供了用于治疗或改善受体内兴奋毒性障碍影响的方法，用于调节受体内铁死亡的方法，用于减少细胞内活性氧化物种（ROS）的方法，以及用于治疗或改善神经退行性疾病影响的方法。
• 4-benzoylisoxazole herbicides
  申请人：Rhone-Poulenc Agriculture Limited

  公开号：US05374606A1

  公开（公告）日：1994-12-20

  The invention relates to 4-benzoylisoxazole derivatives of formula (I): ##STR1## wherein: R represents the hydrogen atom or a group --CO.sub.2 R.sup.4 ; R.sup.1 represents alkyl, haloalkyl or optionally substituted cycloalkyl; R.sup.2 represents halogen, optionally halogenated alkyl, alkenyl or alkynyl, alkyl substituted by one or more groups --OR.sup.5 ; or a group selected from nitro, cyano, --CO.sub.2 R.sup.5, --S(O).sub.p R.sup.6, --O(CH.sub.2).sub.m OR.sup.5, --COR.sup.5, --NR.sup.61 R.sup.62, --N(R.sup.8)SO.sub.2 R.sup.7, --OR.sup.5, --OSO.sub.2 R.sup.7 and --(CR.sup.9 R.sup.10).sub.t --S(O).sub.q R.sup.7 ; R.sup.3 represents --S(O).sub.q R.sup.7 ; X represents --(CR.sup.9 R.sup.10).sub.t --; n represents zero or an integer from one to four; R.sup.4 represents alkyl or haloalkyl; R.sup.5 represents optionally halogenated alkyl, alkenyl or alkynyl; R.sup.6, R.sup.61 and R.sup.62, which may be the same or different, each represents alkyl, haloalkyl or optionally substituted phenyl; R.sup.7 represents optionally halogenated alkyl, alkenyl or alkynyl, or optionally substituted phenyl or benzyl; R.sup.8 represents hydrogen or optionally halogenated alkyl, alkenyl or alkynyl; R.sup.9 and R.sup.10, which may be the same or different, each represents hydrogen, alkyl, haloalkyl or optionally substituted phenyl; p represents zero, one or two; q represents zero, one or two; m represents 1, 2 or 3; t represents an integer from one to four; or an agriculturally acceptable salt thereof; and to their use as herbicides.

  该发明涉及式(I)的4-苯甲酰异噁唑衍生物：其中：R代表氢原子或基团--CO.sub.2 R.sup.4；R.sup.1代表烷基，卤代烷基或可选择取代的环烷基；R.sup.2代表卤素，可选择卤代烷基，烯基或炔基，被一个或多个基团--OR.sup.5取代的烷基；或从硝基，氰基，--CO.sub.2 R.sup.5，--S(O).sub.p R.sup.6，--O(CH.sub.2).sub.m OR.sup.5，--COR.sup.5，--NR.sup.61 R.sup.62，--N(R.sup.8)SO.sub.2 R.sup.7，--OR.sup.5，--OSO.sub.2 R.sup.7和--(CR.sup.9 R.sup.10).sub.t --S(O).sub.q R.sup.7中选择的基团；R.sup.3代表--S(O).sub.q R.sup.7；X代表--(CR.sup.9 R.sup.10).sub.t --；n代表零或一个从一到四的整数；R.sup.4代表烷基或卤代烷基；R.sup.5代表可选择卤代烷基，烯基或炔基；R.sup.6，R.sup.61和R.sup.62，可以相同也可以不同，每个代表烷基，卤代烷基或可选择取代的苯基；R.sup.7代表可选择卤代烷基，烯基或炔基，或可选择取代的苯基或苄基；R.sup.8代表氢或可选择卤代烷基，烯基或炔基；R.sup.9和R.sup.10，可以相同也可以不同，每个代表氢，烷基，卤代烷基或可选择取代的苯基；p代表零，一或二；q代表零，一或二；m代表1，2或3；t代表一个从一到四的整数；或其农药可接受的盐；以及它们作为除草剂的用途。
• Fused pyramidine derivative and use thereof
  申请人：Hamamura Kazumasa

  公开号：US20070010537A1

  公开（公告）日：2007-01-11

  There are provided a fused pyrimidine compound having antagonistic activity against luteinizing hormone releasing hormone, and a medicine containing the compound. A luteinizing hormone releasing hormone antagonist containing a compound represented by the formula: wherein R 1a is a hydrocarbon group which may be substituted or a hydrogen atom, ring A a is a 6-membered aromatic ring which may be further substituted, ring B a is a homocyclic or heterocyclic ring which may be further substituted, W a is an oxygen atom or a sulfur atom, X a1 and X a2 , which may be identical or different, are each a hydrogen atom, a hydrocarbon group which may be substituted, or a heterocyclic group which may be substituted, or X a1 and X a2 together may form an oxygen atom, a sulfur atom or NR 3a (wherein R 3a is a hydrocarbon group which may be substituted or a hydrogen atom), and Y a is C 1-6 alkylene which may be substituted or a bond, or a salt or prodrug thereof.

  提供了一种融合嘧啶化合物，具有抗促黄体激素释放激素的拮抗活性，以及含有该化合物的药物。一种促黄体激素释放激素拮抗剂，包含以下式子所代表的化合物：其中，R1a是一个可以被取代的碳氢基团或氢原子，环A是一个可以进一步取代的6元芳香环，环B是一个可以进一步取代的同环或异环，Wa是一个氧原子或硫原子，Xa1和Xa2，可能相同或不同，是每个可以被取代的碳氢基团或杂环基团，或Xa1和Xa2在一起可以形成氧原子、硫原子或NR3a（其中R3a是一个可以被取代的碳氢基团或氢原子），而Y是C1-6烷基，可以被取代或成为键，或其盐或前药。
• Compounds, Compositions, and Methods For Modulating Ferroptosis and Treating Excitotoxic Disorders
  申请人：The Trustees of Columbia University in the City of New York

  公开号：US20150079035A1

  公开（公告）日：2015-03-19

  The present invention provides, inter alia, a compound having the structure: (Formula (I). Also provided are compositions containing a pharmaceutically acceptable carrier and a compound according to the present invention. Further provided are methods for treating or ameliorating the effects of an excitotoxic disorder in a subject, methods of modulating ferroptosis in a subject, methods of reducing reactive oxygen species (ROS) in a cell, and methods for treating or ameliorating the effects of a neurodegenerative disease.

  本发明提供了一种具有以下结构的化合物：（公式（I）。还提供了含有药用载体和本发明中所述化合物的组合物。此外，还提供了治疗或改善受体中兴奋毒性障碍影响的方法，调节受体中铁死亡的方法，降低细胞中反应性氧化物（ROS）的方法，以及治疗或改善神经退行性疾病影响的方法。