2-aminomethyl-5-(3,5-dichlorophenylsulfinyl)-4-isopropyl-1-methyl-1H-imidazole | 178980-03-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-aminomethyl-5-(3,5-dichlorophenylsulfinyl)-4-isopropyl-1-methyl-1H-imidazole
• 英文别名: 1H-Imidazole-2-methanamine, 5-((3,5-dichlorophenyl)sulfinyl)-1-methyl-4-(1-methylethyl)-；[5-(3,5-dichlorophenyl)sulfinyl-1-methyl-4-propan-2-ylimidazol-2-yl]methanamine
• CAS: 178980-03-5
• 化学式: C₁₄H₁₇Cl₂N₃OS
• 分子量: 346.28
• InChiKey: YYUGTLIPNXPAAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  80.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-Aminomethyl-5-(3,5-dichlorophenylthio)-4-isopropyl-1-methylimidazole Oxalate 生成 2-aminomethyl-5-(3,5-dichlorophenylsulfinyl)-4-isopropyl-1-methyl-1H-imidazole
  参考文献：
  名称：

  Imidazole derivatives as anti-HIV agents

  摘要：

  一种由通式（I）表示的咪唑衍生物或其盐，具有特异性抑制HIV作为致病病毒的生长并且毒性降低的效果。在该式中，R.sup.1代表氢、C.sub.1-C.sub.20烷基、C.sub.2-C.sub.7烯基、C.sub.4-C.sub.12环烷基烷基等；R.sup.2代表C.sub.1-C.sub.6烷基、C.sub.1-C.sub.6酰基、羟亚胺甲基、叠氮甲基或--(CH.sub.2)n--R.sup.4（R.sup.4为卤素基、烷氧基、羟基等；n为1至3的整数）；R.sup.3代表取代或未取代的C.sub.1-C.sub.6烷基；X和Y分别独立表示氢、C.sub.1-C.sub.3烷基、卤素基或硝基；Z表示S、SO、SO.sub.2或CH.sub.2。

  公开号：

  US05910506A1

文献信息

• [EN] METHYLAMINE DERIVATIVES AS LYSYSL OXIDASE INHIBITORS FOR THE TREATMENT OF CANCER<br/>[FR] DÉRIVÉS DE LA MÉTHYLAMINE COMME INHIBITEURS DE LA LYSYL OXIDASE POUR LE TRAITEMENT DU CANCER
  申请人：THE INST OF CANCER RESEARCH: ROYAL CANCER HOSPITAL

  公开号：WO2017141049A1

  公开（公告）日：2017-08-24

  Provided are compounds of the Formula (I), or a pharmaceutically acceptable salt thereof, wherein W, X, Y, Z, x, R1, R2, R3, x and n are defined in the specification. The compounds are inhibitors of lysyl oxidase (LOX) and lysyl oxidase-like (LOXL) family members (LOXL1, LOXL2, LOXL3, LOXL4) and are useful in therapy, particularly in the treatment of cancer. Also disclosed are LOX inhibitors for use in the treatment of a cancer associated with EGFR and biomarkers that predict responsiveness to a LOX inhibitor.

  提供的是Formula (I)的化合物，或其药用可接受的盐，其中W、X、Y、Z、x、R1、R2、R3、x和n在规范中有定义。这些化合物是赖氨酸氧化酶（LOX）和赖氨酸氧化酶样（LOXL）家族成员（LOXL1、LOXL2、LOXL3、LOXL4）的抑制剂，并且在治疗中很有用，特别是在癌症治疗中。还披露了用于治疗与EGFR相关的癌症的LOX抑制剂，以及预测对LOX抑制剂响应性的生物标志物。
• Methylamine derivatives as lysysl oxidase inhibitors for the treatment of cancer
  申请人：The Institute of Cancer Research: Royal Cancer Hospital

  公开号：US10807974B2

  公开（公告）日：2020-10-20

  Provided are compounds of the Formula (I), or a pharmaceutically acceptable salt thereof: wherein W, X, Y, Z, x, R1, R2, R3, x and n are defined in the specification. The compounds are inhibitors of lysyl oxidase (LOX) and lysyl oxidase-like (LOXL) family members (LOXL1, LOXL2, LOXL3, LOXL4) and are useful in therapy, particularly in the treatment of cancer. Also disclosed are LOX inhibitors for use in the treatment of a cancer associated with EGFR and biomarkers that predict responsiveness to a LOX inhibitor.

  所提供的是式 (I) 化合物或其药学上可接受的盐： 其中 W、X、Y、Z、x、R1、R2、R3、x 和 n 在说明书中定义。这些化合物是赖氨酰氧化酶（LOX）和赖氨酰氧化酶样（LOXL）家族成员（LOXL1、LOXL2、LOXL3、LOXL4）的抑制剂，可用于治疗，特别是癌症的治疗。还公开了用于治疗与表皮生长因子受体相关的癌症的 LOX 抑制剂，以及预测对 LOX 抑制剂反应性的生物标记物。
• IMIDAZOLE DERIVATIVE
  申请人：SHIONOGI & CO., LTD.

  公开号：EP0786455B1

  公开（公告）日：2003-12-03
• Methylamine Derivatives as Lysysl Oxidase Inhibitors for the Treatment of Cancer
  申请人：THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL

  公开号：US20190152966A1

  公开（公告）日：2019-05-23

  Provided are compounds of the Formula (I), or a pharmaceutically acceptable salt thereof: wherein W, X, Y, Z, x, R 1 , R 2 , R 3 , x and n are defined in the specification. The compounds are inhibitors of lysyl oxidase (LOX) and lysyl oxidase-like (LOXL) family members (LOXL1, LOXL2, LOXL3, LOXL4) and are useful in therapy, particularly in the treatment of cancer. Also disclosed are LOX inhibitors for use in the treatment of a cancer associated with EGFR and biomarkers that predict responsiveness to a LOX inhibitor.
• US5910506A
  申请人：——

  公开号：US5910506A

  公开（公告）日：1999-06-08