2-Chlor-4-aethylamino-anisol | 102236-60-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-Chlor-4-aethylamino-anisol
• 英文别名: 3-chloro-N-ethyl-4-methoxyaniline
• CAS: 102236-60-2
• 化学式: C₉H₁₂ClNO
• mdl: MFCD11141618
• 分子量: 185.653
• InChiKey: ZXKNAFBMQYJNPM-UHFFFAOYSA-N

物化性质

• 沸点：
  291.6±25.0 °C(Predicted)
• 密度：
  1.150±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• [EN] THIOUREA INHIBITORS OF HERPES VIRUSES<br/>[FR] THIO-UREES INHIBITRICES DES VIRUS DE L'HERPES
  申请人：AMERICAN HOME PROD

  公开号：WO2000034238A1

  公开（公告）日：2000-06-15

  Compounds of formula (I), wherein R1-R5 are independently selected from hydrogen, alkyl of 1 to 6 carbon atoms, alkenyl of 2 to 6 carbon atoms, alkynyl of 2 to 6 carbon atoms, perhaloalkyl of 1 to 6 carbon atoms, cycloalkyl of 3 to 10 carbon atoms, heterocycloalkyl of 3 to 10 carbon members, aryl, heteroaryl, halogen, -CN, -NO2, -CO2R6, -COR6, -OR6, -SR6, -SOR6, -SO2R6, -CONR7R8, -NR6N(R7R8), -N(R7R8) or W-Y-(CH2)n-Z provided that at least one of R1-R5 is not hydrogen; or R2 and R3 or R3 and R4, taken together form a 3 to 7 membered heterocycloalkyl or 3 to 7 membered heteroaryl; R6 and R7 are independently hydrogen, alkyl of 1 to 6 carbon atoms, perhaloalkyl of 1 to 6 carbon atoms, or aryl; R8 is hydrogen, alkyl of 1 to 6 carbon atoms, perhaloalkyl of 1 to 6 carbon atoms, cycloalkyl of 3 to 10 carbon atoms, heterocycloalkyl of 3 to 10 members, aryl or heteroaryl, or R7 and R8, taken together may form a 3 to 7 membered heterocycloalkyl; R9-R12 are independently hydrogen, alkyl of 1 to 4 carbon atoms, perhaloalkyl of 1 to 4 carbon atoms, halogen, alkoxy of 1 to 4 carbon atoms, or cyano, or R9 and R10 or R11 and R12 may be taken together to form aryl of 5 to 7 carbon atoms; provided that at least one of R9-12 is not hydrogen; W is O, NR6, or is absent; Y is -(CO)- or -(CO2)-, or is absent; Z is alkyl of 1 to 4 carbon atoms, -CN, -CO2R6, COR6, -CONR7R8, -OCOR6, -NR6COR7, -OCONR6, -OR6, -SR6, -SOR6, -SO2R6, SR6N(R7R8), -N(R7R8) or phenyl; G is aryl or fused bicyclic heteroaryl; and X is a bond, -NH, alkyl of 1 to 6 carbon atoms, alkenyl of 1 to 6 carbon atoms, alkoxy of 1 to 6 carbon atoms, thioalkyl of 1 to 6 carbon atoms, alkylamino of 1 to 6 carbon atoms, or (CH)J; J is alkyl of 1 to 6 carbon atoms, cycloalkyl of 3 to 7 carbon atoms, phenyl or benzyl; and n is an integer from 1 to 6, in the treatment of diseases associated with herpes viruses including human cytomegalovirus, herpes simplex viruses, Epstein-Barr virus, varicella-zoster virus, human herpesviruses-6 and -7, and Kaposi herpes virus.

  化合物的公式（I），其中R1-R5独立地选择自氢，1至6个碳原子的烷基，2至6个碳原子的烯基，2至6个碳原子的炔基，1至6个碳原子的全氟烷基，3至10个碳原子的环烷基，3至10个碳成员的杂环烷基，芳基，杂芳基，卤素，-CN，-NO2，- R6，-COR6，-OR6，-SR6，-SOR6，-SO2R6，-CONR7R8，-NR6N（R7R8），-N（R7R8）或W-Y-（CH2）n-Z，其中至少有一个R1-R5不是氢; 或者R2和R3或R3和R4，一起形成3至7个成员的杂环烷基或3至7个成员的杂芳基; R6和R7独立地为氢，1至6个碳原子的烷基，1至6个碳原子的全氟烷基或芳基; R8为氢，1至6个碳原子的烷基，1至6个碳原子的全氟烷基，3至10个碳原子的环烷基，3至10个成员的杂环烷基，芳基或杂芳基，或者R7和R8一起可以形成3至7个成员的杂环烷基; R9-R12独立地为氢，1至4个碳原子的烷基，1至4个碳原子的全氟烷基，卤素，1至4个碳原子的烷氧基或氰基，或者R9和R10或R11和R12可以一起形成5至7个碳原子的芳基; 提供至少一个R9-12不是氢; W为O，NR6或不存在; Y为-(CO)-或-(CO2)-，或不存在; Z为1至4个碳原子的烷基，-CN，- R6，COR6，-CONR7R8，-OCOR6，-NR6COR7，-OCONR6，-OR6，-SR6，-SOR6，-SO2R6，SR6N（R7R8），-N（R7R8）或苯基; G为芳基或融合的双环杂芳基; X为键，-NH，1至6个碳原子的烷基，1至6个碳原子的烯基，1至6个碳原子的烷氧基，1至6个碳原子的硫代烷基，1至6个碳原子的烷基氨基或（CH）J; J为1至6个碳原子的烷基，3至7个碳原子的环烷基，苯基或苄基; n为1至6的整数，在治疗与疱疹病毒相关的疾病中，包括人类巨细胞病毒，单纯疱疹病毒，EB病毒，水痘-带状疱疹病毒，人类疱疹病毒6和7以及卡波西疱疹病毒。
• COMPOUNDS FOR TREATING PULMONARY HYPERTENSION
  申请人：Klein Martina

  公开号：US20100113452A1

  公开（公告）日：2010-05-06

  The present invention relates to pharmaceutical compositions and combinations for treating, preventing or managing pulmonary hypertension comprising small molecule heterocyclic pharmaceuticals, and more particularly, substituted pyridines and pyridazines optionally combined with at least one additional therapeutic agent.

  本发明涉及用于治疗、预防或管理肺动脉高压的制药组合物和组合物，包括小分子杂环类药物，特别是取代的吡啶和吡啶二氮杂环，可选地与至少一种其他治疗剂联合使用。
• Benzo[d]thiazole derivative or salt thereof, and pharmaceutical composition including same
  申请人：Yuhan Corporation

  公开号：US10383859B2

  公开（公告）日：2019-08-20

  The present invention provides a benzo[d]thiazole derivative or its pharmaceutically acceptable salt, a process for the preparation thereof, and a pharmaceutical composition comprising the same. The benzo[d]thiazole derivative or its pharmaceutically acceptable salt can selectively inhibit the protein-protein interaction between KRS and a laminin receptor (LR), thereby inhibiting migration of cancer cells. Therefore, the benzo[d]thiazole derivative or its pharmaceutically acceptable salt may be usefully applied for preventing or treating the diseases associated with cancer cell metastasis.

  本发明提供了一种苯并[d]噻唑衍生物或其药学上可接受的盐、其制备工艺以及包含其的药物组合物。苯并[d]噻唑衍生物或其药学上可接受的盐可以选择性地抑制 KRS 与层粘连蛋白受体（LR）之间的蛋白-蛋白相互作用，从而抑制癌细胞的迁移。因此，苯并[d]噻唑衍生物或其药学上可接受的盐可用于预防或治疗与癌细胞转移相关的疾病。
• BENZO[D]THIAZOLE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME
  申请人：Yuhan Corporation

  公开号：EP3483149B1

  公开（公告）日：2021-01-13
• THIOUREA INHIBITORS OF HERPES VIRUSES
  申请人：AMERICAN HOME PRODUCTS CORPORATION

  公开号：EP1137632A1

  公开（公告）日：2001-10-04