4-chloro-5-methoxy-2-methylaniline | 62492-42-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-chloro-5-methoxy-2-methylaniline
• 英文别名: 5-amino-2-chloro-4-methylanisole；4-chloro-5-methoxy-2-methyl-aniline；4-Chlor-5-methoxy-2-methyl-anilin；5-Chlor-2-amino-4-methoxy-toluol；5-Chlor-2-amino-4-methoxy-1-methyl-benzol；6-Chlor-3-amino-p-kresol-methylaether
• CAS: 62492-42-6
• 化学式: C₈H₁₀ClNO
• 分子量: 171.626
• InChiKey: JABOOSPOIFZIGG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P261,P280,P305+P351+P338,P304+P340
• 危险性描述：
  H302

反应信息

• 作为反应物：
  描述：

  4-chloro-5-methoxy-2-methylaniline 生成 2,5-dichloro-4-methyl-anisole
  参考文献：
  名称：

  de Vries, Recueil des Travaux Chimiques des Pays-Bas, 1909, vol. 28, p. 403

  摘要：

  DOI：
• 作为产物：
  描述：

  4-甲基-3-硝基苯甲醚 在 盐酸 、 tin 作用下， 生成 4-chloro-5-methoxy-2-methylaniline
  参考文献：
  名称：

  Heilbron et al., Journal of the Chemical Society, 1925, vol. 127, p. 2171

  摘要：

  DOI：

文献信息

• Tricyclic protein kinase inhibitors
  申请人：American Home Products Corporation

  公开号：US20010051620A1

  公开（公告）日：2001-12-13

  This invention provides compounds of formula 1, having the structure 1 which are useful as inhibitors of protein tyro sine kinase and are antiproliferative agents.

  这项发明提供了具有结构1的化合物，这些化合物可作为蛋白酪氨酸激酶的抑制剂，是抗增殖剂。
• INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF
  申请人：Tatani Kazuya

  公开号：US20130317065A1

  公开（公告）日：2013-11-28

  The present invention provides a compound represented by the general formula (I) of the present invention, which has EP 1 receptor antagonism: wherein A represents a benzene ring, a pyridine ring, or the like; Y 1 represents a C 1-6 alkylene group or the like; Y 2 represents a single bond or the like; Z represents —C(═O)—NHSO 2 R 6 , an acidic 5-membered hetero ring group, or the like; R 1 represents a hydrogen atom or the like; R 2 represents a phenyl group, a 5-membered aromatic heterocyclic group, or the like; R 3 represents a halogen atom, a C 1-6 alkoxy group, or the like; R 4 represents a hydrogen atom, a halogen atom, or the like; R 5 represents a hydrogen atom or the like; and R 6 represents a C 1-6 alkyl group or the like], or a pharmaceutically acceptable salt thereof. Furthermore, the compound (I) of the present invention can be used as an agent for treating or preventing LUTS, in particular, various symptoms of OABs.

  本发明提供了一种化合物，其表示为本发明的一般式（I），具有EP1受体拮抗作用：其中A代表苯环、吡啶环或类似物；Y1代表C1-6烷基或类似物；Y2代表单键或类似物；Z代表—C(═O)—NHSO2R6、酸性5-成员杂环基团或类似物；R1代表氢原子或类似物；R2代表苯基、5-成员芳香杂环基团或类似物；R3代表卤原子、C1-6烷氧基或类似物；R4代表氢原子、卤原子或类似物；R5代表氢原子或类似物；R6代表C1-6烷基或类似物，或其药学上可接受的盐。此外，本发明的化合物（I）可用作治疗或预防LUTS的药剂，特别是OABs的各种症状。
• Stereoselectivein-vitro aromatic-ring oxygenations of chiral 1,4-benzodiazepin-2-ones
  作者：Dragutin Kolbah、Nikola Bla?evi?、Mohammad Hannoun、Franjo Kajfe?、Tomislav Kova?、Slobodan Rendi?、Vitomir ?unji?

  DOI：10.1002/hlca.19770600134

  日期：1977.1.26

  Biological N(1)-demethylation and C(3)-hydroxylation of two enantiomeric 1,4-benzodiazepin-2-ones 1 and 2 (cf. scheme 2) were found to be nonstereoselective. Aromatic-ring hydroxylation, however, took place in the (S)-series only, leading to 3′- and 4′-hydroxylated, N(1)-demethylated, metabolites (54 and 56, cf. scheme 5: these structures were unambiguously confirmed by comparing their UV., CD., and

  生物N（1）和-demethylation C（3）的两种对映体的1,4-苯并二氮杂-2-酮羟基化1和2（参见方案2）被发现是nonstereoselective。但是，芳香环羟基化仅在（S）系列中发生，导致3'-和4'-羟基化，N（1）-去甲基化的代谢产物（54和56，参见方案5：这些结构是通过比较它们的UV，CD和质谱图与真实样品的光谱图明确地确认）。从理论上讲，可以通过包括NIH位移在内的机理将几种化合物设想为1和2的芳香族A环中的羟基化产物。方案3）是合成的，但尚未从体外孵育混合物中分离出这些化合物。
• [EN] TRICYCLIC PROTEIN KINASE INHIBITORS<br/>[FR] INHIBITEURS TRICYCLIQUES DE PROTEINE KINASE
  申请人：AMERICAN HOME PROD

  公开号：WO2001047892A1

  公开（公告）日：2001-07-05

  This invention provides compounds of formula (1) which are useful as inhibitors of protein tyrosine kinase and are antiproliferative agents.

  本发明提供了一种式子为(1)的化合物，它们可用作蛋白酪氨酸激酶的抑制剂并具有抗增殖作用。
• Indole derivative and pharmacologically acceptable salt thereof
  申请人：Tatani Kazuya

  公开号：US08815903B2

  公开（公告）日：2014-08-26

  The present invention provides a compound represented by the general formula (I) of the present invention, which has EP1 receptor antagonism: wherein A represents a benzene ring, a pyridine ring, or the like; Y1 represents a C1-6 alkylene group or the like; Y2 represents a single bond or the like; Z represents —C(═O)—NHSO2R6, an acidic 5-membered hetero ring group, or the like; R1 represents a hydrogen atom or the like; R2 represents a phenyl group, a 5-membered aromatic heterocyclic group, or the like; R3 represents a halogen atom, a C1-6 alkoxy group, or the like; R4 represents a hydrogen atom, a halogen atom, or the like; R5 represents a hydrogen atom or the like; and R6 represents a C1-6 alkyl group or the like], or a pharmaceutically acceptable salt thereof. Furthermore, the compound (I) of the present invention can be used as an agent for treating or preventing LUTS, in particular, various symptoms of OABs.

  本发明提供了一种由本发明的通式（I）所表示的化合物，其具有EP1受体拮抗作用：其中A代表苯环，吡啶环或类似物；Y1代表C1-6烷基或类似物；Y2代表单键或类似物；Z代表-C（═O）-NHSO2R6，酸性5-成员杂环基团或类似物；R1代表氢原子或类似物；R2代表苯基，5-成员芳香杂环基团或类似物；R3代表卤原子，C1-6烷氧基或类似物；R4代表氢原子，卤原子或类似物；R5代表氢原子或类似物；R6代表C1-6烷基或类似物]，或其药学上可接受的盐。此外，本发明的化合物（I）可用作治疗或预防下尿路症状（LUTS），特别是OAB的各种症状的药剂。