tert-butyl [4-(aminomethyl)phenyl]acetate | 479586-24-8

• 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: tert-butyl [4-(aminomethyl)phenyl]acetate
• 英文别名: Tert-butyl 2-(4-(aminomethyl)phenyl)acetate；tert-butyl 2-[4-(aminomethyl)phenyl]acetate
• CAS: 479586-24-8
• 化学式: C₁₃H₁₉NO₂
• 分子量: 221.299
• InChiKey: XXEUULGDNGDBMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2922499990

反应信息

• 作为反应物：
  描述：

  7-(3,5-dimethoxy-phenylamino)-5-methylsulfanyl-imidazo[1,2-c]pyrimidine-8-carboxylic acid amide 、 tert-butyl [4-(aminomethyl)phenyl]acetate 以 N-甲基吡咯烷酮 为溶剂， 反应 3.0h， 以75%的产率得到tert-butyl (4-{[8-carbamoyl-7-(3,5-dimethoxyphenylamino)imidazo[1,2-c]pyrimidin-5-ylamino]methyl}phenyl)acetate
  参考文献：
  名称：

  Structure–activity relationship studies of 5-benzylaminoimidazo[1,2-c]pyrimidine-8-carboxamide derivatives as potent, highly selective ZAP-70 kinase inhibitors

  摘要：

  Zeta-associated protein, 70 kDa (ZAP-70), a spleen tyrosine kinase (Syk) family kinase, is normally expressed on T cells and natural killer cells and plays a crucial role in activation of the T cell immunoresponse. Thus, selective ZAP-70 inhibitors might be useful not only for treating autoimmune diseases, but also for suppressing organ transplant rejection. In our recent study on the synthesis of Syk family kinase inhibitors, we discovered that novelimidazo[1,2-c]pyrimidine-8-carboxamide derivatives possessed potent ZAP-70 inhibitory activity with good selectivity for ZAP-70 over other kinases. In particular, compound 26 showed excellent ZAP-70 kinase inhibition and high selectivity for ZAP-70 over structurally related Syk. The discovery of a potent, highly selective ZAP-70 inhibitor would contribute a new therapeutic tool for autoimmune diseases and organ transplant medication. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.10.070
• 作为产物：
  描述：

  tert-butyl [4-(1,3-dioxo-1,3-dihydroisoindol-2-ylmethyl)phenyl]acetate 在 一水合肼 作用下， 以 乙醇 为溶剂， 生成 tert-butyl [4-(aminomethyl)phenyl]acetate
  参考文献：
  名称：

  Structure–activity relationship studies of 5-benzylaminoimidazo[1,2-c]pyrimidine-8-carboxamide derivatives as potent, highly selective ZAP-70 kinase inhibitors

  摘要：

  Zeta-associated protein, 70 kDa (ZAP-70), a spleen tyrosine kinase (Syk) family kinase, is normally expressed on T cells and natural killer cells and plays a crucial role in activation of the T cell immunoresponse. Thus, selective ZAP-70 inhibitors might be useful not only for treating autoimmune diseases, but also for suppressing organ transplant rejection. In our recent study on the synthesis of Syk family kinase inhibitors, we discovered that novelimidazo[1,2-c]pyrimidine-8-carboxamide derivatives possessed potent ZAP-70 inhibitory activity with good selectivity for ZAP-70 over other kinases. In particular, compound 26 showed excellent ZAP-70 kinase inhibition and high selectivity for ZAP-70 over structurally related Syk. The discovery of a potent, highly selective ZAP-70 inhibitor would contribute a new therapeutic tool for autoimmune diseases and organ transplant medication. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.10.070

文献信息

• [EN] IL4I1 INHIBITORS AND METHODS OF USE<br/>[FR] INHIBITEURS D'IL4I1 ET PROCÉDÉS D'UTILISATION
  申请人：MERCK SHARP & DOHME

  公开号：WO2021226003A1

  公开（公告）日：2021-11-11

  Described herein are compounds of Formula I or a pharmaceutically acceptable salt thereof. The compounds of Formula I act as IL4I1 inhibitors and can be useful in preventing, treating or acting as a remedial agent for IL4I1-related diseases.

  本文描述了化合物I的结构或其药用盐。化合物I作为IL4I1抑制剂，可用于预防、治疗或作为IL4I1相关疾病的治疗剂。
• GUANIDINOBENZOIC ACID ESTER COMPOUND
  申请人：ASTELLA PHARMA INC.

  公开号：US20160031847A1

  公开（公告）日：2016-02-04

  [Problem]To provide a compound which is useful as an agent for preventing and/or treating kidney diseases. [Means for Solution]The present inventors have studied compounds having a trypsin inhibitory activity, and have confirmed that a guanidinobenzoic acid ester compound has a trypsin inhibitory activity, thereby completing the present invention. The guanidinobenzoic acid ester compound of the present invention can be used as an agent for preventing and/or treating kidney diseases (for example, chronic kidney disease, acute glomerulonephritis, acute kidney injury, and the like) as an agent which will substitute low-protein diet therapy, and/or as an agent for preventing and/or treating trypsin-related diseases (for example, chronic pancreatitis, gastroesophageal reflux disease, hepatic encephalopathy, influenza, and the like).

  提供一种可用作预防和/或治疗肾脏疾病的化合物。现发明人研究了具有胰蛋白酶抑制活性的化合物，并确认一种鸟氨酸苯甲酸酯化合物具有胰蛋白酶抑制活性，从而完成了本发明。本发明的鸟氨酸苯甲酸酯化合物可用作预防和/或治疗肾脏疾病的药剂（例如，慢性肾病、急性肾小球肾炎、急性肾损伤等），作为替代低蛋白饮食疗法的药剂，和/或作为预防和/或治疗与胰蛋白酶相关疾病的药剂（例如，慢性胰腺炎、胃食管反流病、肝性脑病、流感等）。
• Dipeptidyl peptidase inhibitors for the treatment of diabetes
  申请人：——

  公开号：US20040176428A1

  公开（公告）日：2004-09-09

  Compounds having Formula I, including pharmaceutically acceptable salts and prodrugs thereof: (Formula I) are inhibitors of the dipep tidyl peptidase-IV enzyme (DP-IV), and are useful in the treatment of DP-IV mediated diseases and conditions, such as non-insulin dependent diabetes mellitus. 1

  具有I式的化合物，包括其药学上可接受的盐和前药：（I式），是二肽基肽酶-IV酶（DP-IV）的抑制剂，并且在治疗DP-IV介导的疾病和病状，如非胰岛素依赖性糖尿病中有用。
• Guanidinobenzoic acid compound
  申请人：Fujiyasu Jiro

  公开号：US09199927B2

  公开（公告）日：2015-12-01

  [Problem] Provided is a compound which is useful as an agent for preventing and/or treating renal diseases. [Means for Solution] The present inventors have conducted extensive studies on compounds having a trypsin inhibitory action, and as a result, they have found that a guanidinobenzoic acid compound has a trypsin inhibitory action, thereby completing the present invention. The guanidinobenzoic acid compound of the present invention can be used as an agent for preventing and/or treating renal disease as an agent which will substitute low-protein diet therapy, and an agent for preventing and/or treating trypsin-related diseases, for example, pancreatitis, gastroesophageal reflux disease, hepatic encephalopathy, influenza, and the like.

  [问题] 提供了一种化合物，可用作预防和/或治疗肾脏疾病的药剂。 [解决方法] 现有发明人对具有胰蛋白酶抑制作用的化合物进行了广泛的研究，结果发现一种鸟氨酸苯甲酸化合物具有胰蛋白酶抑制作用，从而完成了本发明。本发明的鸟氨酸苯甲酸化合物可用作代替低蛋白饮食疗法的药剂，用于预防和/或治疗肾脏疾病，并且可用作预防和/或治疗与胰腺炎、胃食管反流病、肝性脑病、流感等相关的胰蛋白酶相关疾病的药剂。
• GUANIDINOBENZOIC ACID COMPOUND
  申请人：Astellas Pharma Inc.

  公开号：EP2757093B1

  公开（公告）日：2016-12-07