2-Amino-6-ethoxycarbonylmethylbenzothiazole | 68195-02-8

• 物质功能分类: 化学试剂 - 有机试剂 - 酯类
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 2-Amino-6-ethoxycarbonylmethylbenzothiazole
• 英文别名: ethyl 2-(2-aminobenzo[d]thiazol-6-yl)acetate；ethyl 2-aminobenzothiazole-6-acetate；(2-amino-benzothiazol-6-yl)-acetic acid ethyl ester；(2-aminobenzothiazol-6-yl)acetic acid ethyl ester；ethyl (2-amino-1,3-benzothiazol-6-yl)acetate；Ethyl 2-amino-6-benzothiazoleacetate；ethyl 2-(2-amino-1,3-benzothiazol-6-yl)acetate
• CAS: 68195-02-8
• 化学式: C₁₁H₁₂N₂O₂S
• 分子量: 236.294
• InChiKey: HBYRGKVSKZCQGF-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：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  93.4
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  2-Amino-6-ethoxycarbonylmethylbenzothiazole 在 氢溴酸 、 溶剂黄146 、 sodium nitrite 、 copper(I) bromide 作用下， 以 水 、 乙腈 为溶剂， 反应 4.5h， 以22%的产率得到ethyl 2-(2-bromobenzo[d]thiazol-6-yl)acetate
  参考文献：
  名称：

  [EN] COMPOUNDS AND METHODS
  [FR] COMPOSÉS ET MÉTHODES

  摘要：

  本发明涉及新型视黄醛酸相关孤儿受体γ（RORγ）调节剂及其在治疗由RORγ介导的疾病中的应用。

  公开号：

  WO2013019682A1
• 作为产物：
  描述：

  硫氰酸乙酯 、 4-氨基苯乙酸乙酯 在 sodium hydroxide 、 溴 作用下， 以 溶剂黄146 为溶剂， 以93.66%的产率得到2-Amino-6-ethoxycarbonylmethylbenzothiazole
  参考文献：
  名称：

  Indoles

  摘要：

  一种由以下公式表示的1,4-取代的环胺衍生物或其药理学上可接受的盐： 其中A、B、C、D、T、Y和Z分别表示亚甲基或氮键合物；R1、R2、R3、R4和R5分别表示取代基；n表示0或1至3的整数；m表示0或1至6的整数；p表示1至3的整数。这些化合物具有5-羟色胺拮抗作用。因此，在临床上作为药物特别有用，用于治疗、改善和预防痉挛性瘫痪。它们还可用作中枢肌肉松弛剂，改善肌张力过高。

  公开号：

  US20020019531A1

文献信息

• Pyrimido[2,1-b]benzothiazoles having antiallergic activity
  申请人：Roussel Uclaf

  公开号：US04762840A1

  公开（公告）日：1988-08-09

  Novel pyrimido[2,1-b]benzothiazoles of the formula ##STR1## wherein R and R.sub.3 are individually selected from the group consisting of hydrogen and alkyl of 1 to 6 carbon atoms or taken together with the carbon to which they are attached form a cycloalkyl of 3 to 6 carbon atoms, R.sub.1 is selected from the group consisting of hydroxy, alkoxy of 1 to 12 carbon atoms, cycloalkyl of 7 to 12 carbon atoms, and ##STR2## R.sub.5 and R.sub.6 are individually selected from the group consisting of hydrogen and alkyl of 1 to 6 carbon atoms or taken together with the nitrogen form piperidino or morpholino, R.sub.2 is selected from the group consisting of hydrogen, alkyl of 1 to 6 carbon atoms, alkoxycarbonyl of 2 to 7 carbon atoms, cycloalkyl of 3 to 6 carbon atoms, heteroaryl, aralkyl and optionally substituted aryl with at least one substituent selected from the group consisting of halogen, nitro, and alkyl and alkoxy of 1 to 6 carbon atoms and their salts with non-toxic, pharmaceutically acceptable acids and bases having antiallergic activity.

  新型嘧啶并[2,1-b]苯并噻唑的化学式为##STR1##其中R和R.sub.3分别选自氢和1至6个碳原子的烷基的群，或与其连接的碳形成3至6个碳原子的环烷基；R.sub.1选自羟基、1至12个碳原子的烷氧基、7至12个碳原子的环烷基和##STR2##；R.sub.5和R.sub.6分别选自氢和1至6个碳原子的烷基，或与氮形成哌啶基或吗啉基；R.sub.2选自氢、1至6个碳原子的烷基、2至7个碳原子的烷氧羰基、3至6个碳原子的环烷基、杂环芳烃、芳基烷基和至少有一个卤素、硝基、1至6个碳原子的烷基和烷氧基等基团的选择性取代的芳基；以及其与无毒、药理学上可接受的酸和碱形成的盐，具有抗过敏活性。
• TRIAZOLOPYRIDAZINES AS KINASE MODULATORS
  申请人：Lu Tianbao

  公开号：US20090098181A1

  公开（公告）日：2009-04-16

  The invention is directed to triazolopyridazine compounds of Formula I: where R 1 , R 5 , R 6 , R 7 , R 8 , and A are as defined herein, the use of such compounds as protein tyrosine kinase modulators, particularly inhibitors of c-Met, and the use of such compounds to reduce or inhibit kinase activity of c-Met in a cell or a subject, and modulate c-Met expression in a cell or subject, and the use of such compounds for preventing or treating in a subject a cell proliferative disorder and/or disorders related to c-Met. The present invention is further directed to pharmaceutical compositions comprising the compounds of the present invention and to methods for treating conditions such as cancers and other cell proliferative disorders.

  本发明涉及式I的三唑并吡嗪化合物：其中R1、R5、R6、R7、R8和A如本文所定义，使用这种化合物作为蛋白酪氨酸激酶调节剂，特别是c-Met的抑制剂，并使用这种化合物来减少或抑制细胞或受体中c-Met的激酶活性，调节细胞或受体中c-Met的表达，并使用这种化合物预防或治疗细胞增殖性疾病和/或与c-Met相关的疾病。本发明还涉及包含本发明化合物的制药组合物以及治疗癌症和其他细胞增殖性疾病的方法。
• PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS
  申请人：Alder Catherine Mary

  公开号：US20120058984A1

  公开（公告）日：2012-03-08

  The invention is directed to certain novel compounds. Specifically, the invention is directed to compounds of formula (I): and salts thereof. The compounds of the invention are inhibitors of kinase activity, in particular Itk activity.

  本发明涉及某些新型化合物。具体而言，本发明涉及公式（I）的化合物及其盐。本发明的化合物是激酶活性抑制剂，特别是Itk活性抑制剂。
• Triazolopyridazine compounds
  申请人：Janssen Pharmaceutica N.V.

  公开号：US08173654B2

  公开（公告）日：2012-05-08

  The invention is directed to triazolopyridazine compounds of Formula I: where R1, R5, R6, R7, R8, and A are as defined herein, the use of such compounds as protein tyrosine kinase modulators, particularly inhibitors of c-Met, and the use of such compounds to reduce or inhibit kinase activity of c-Met in a cell or a subject, and modulate c-Met expression in a cell or subject, and the use of such compounds for preventing or treating in a subject a cell proliferative disorder and/or disorders related to c-Met. The present invention is further directed to pharmaceutical compositions comprising the compounds of the present invention and to methods for treating conditions such as cancers and other cell proliferative disorders.

  本发明涉及式I的三唑并吡嗪化合物：其中R1、R5、R6、R7、R8和A如本文所定义，使用这些化合物作为蛋白酪氨酸激酶调节剂，特别是c-Met的抑制剂，使用这些化合物来减少或抑制细胞或主体中c-Met的激酶活性，并调节细胞或主体中c-Met的表达，以及使用这些化合物预防或治疗主体中的细胞增殖性疾病和/或与c-Met相关的疾病。本发明还涉及包含本发明化合物的制药组合物以及治疗癌症和其他细胞增殖性疾病的方法。
• Triazolopyridazines as kinase modulators
  申请人：Janssen Pharmaceutica N.V.

  公开号：US08030305B2

  公开（公告）日：2011-10-04

  The invention is directed to triazolopyridazine compounds of Formula I: where R1, R5, R6, R7, R8, and A are as defined herein, the use of such compounds as protein tyrosine kinase modulators, particularly inhibitors of c-Met, and the use of such compounds to reduce or inhibit kinase activity of c-Met in a cell or a subject, and modulate c-Met expression in a cell or subject, and the use of such compounds for preventing or treating in a subject a cell proliferative disorder and/or disorders related to c-Met. The present invention is further directed to pharmaceutical compositions comprising the compounds of the present invention and to methods for treating conditions such as cancers and other cell proliferative disorders.

  本发明涉及式I的三唑并吡嗪化合物：其中R1、R5、R6、R7、R8和A如本文所定义，以及使用这样的化合物作为蛋白酪氨酸激酶调节剂，特别是c-Met的抑制剂，并使用这样的化合物来减少或抑制细胞或主体中c-Met的激酶活性，并调节细胞或主体中c-Met的表达，以及使用这样的化合物预防或治疗主体中的细胞增殖性疾病和/或与c-Met相关的疾病。本发明还涉及包含本发明化合物的制药组合物以及治疗癌症和其他细胞增殖性疾病的方法。