ethyl 6-[p-(5-bromopentyloxy)phenoxy]-2,2-dimethylhexanoate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: ethyl 6-[p-(5-bromopentyloxy)phenoxy]-2,2-dimethylhexanoate
• 英文别名: ethyl 6-[4-(5-bromopentoxy)phenoxy]-2,2-dimethylhexanoate
• 化学式: C₂₁H₃₃BrO₄
• 分子量: 429.395
• InChiKey: YILIRSCRBLPOGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  26
• 可旋转键数：
  15
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 6-[p-(5-bromopentyloxy)phenoxy]-2,2-dimethylhexanoate 、 sodium triazole 以 N,N-二甲基甲酰胺 为溶剂， 生成 ethyl 6-[p-[5-(1,2,4-triazol-1-yl)pentyloxy]phenoxy]-2,2-dimethylhexanoate
  参考文献：
  名称：

  Phenoxy imidazole compound

  摘要：

  提供了一种新的苯氧衍生物，可以用一般公式表示：##STR1## 其中各种取代基的定义如上所述，包括如苯甲酸苄酯6-[p-[5-(1-咪唑基)戊氧基]苯氧基]-2,2-二甲基己酸酯等化合物。该发明还涵盖了含有这些衍生物的药物组合物及其在治疗肿瘤方面的应用。

  公开号：

  US04891432A1

文献信息

• Inhibiting growth of tumors with certain substituted phenoxy dimethyl
  申请人：Yamanouchi Pharmaceutical Co., Ltd.

  公开号：US04758580A1

  公开（公告）日：1988-07-19

  This disclosure describes compositions of matter useful as growth inhibitors of transplanted tumors in mammals: and this invention discloses a method of inducing the regression and/or palliation of various types of tumors in mammals (mammary cancer, liver cancer, skin cancer, etc.), said method comprising giving to said mammals an effective amount of a compound of the following formula: ##STR1## [wherein A represents an imidazolyl group or a pyridyl group, l represents 0 or 1, m and n each, which may be the same of different, represents an integer of 1 to 6, and, R represents a hydrogen atom or a lower alkyl group], or a salt thereof; the invention also discloses a method of inhibition (or prevention) of metastasis of the various cancers. The above formula compounds have low toxicity, and it is expected to apply various types of administration thereof such as oral administration and parenteral administration. In particular, it is expected that the compounds are useful as new type of medical (anti-cancer) compounds which can be administered orally.

  本公开描述了作为哺乳动物移植肿瘤生长抑制剂的物质组合物：本发明揭示了一种诱导哺乳动物各种类型肿瘤（乳腺癌、肝癌、皮肤癌等）退缩和/或缓解的方法，该方法包括向该哺乳动物施用以下式的化合物的有效量：##STR1## [其中A代表咪唑基或吡啶基，l代表0或1，m和n各自，可以相同也可以不同，代表1到6的整数，R代表氢原子或较低的烷基基团]，或其盐；该发明还揭示了各种癌症转移的抑制（或预防）方法。上述式的化合物具有低毒性，并预期可以应用各种给药途径，如口服和静脉注射。特别是，预期这些化合物可作为新型口服给药的医用（抗癌）化合物。
• 6-[p-[5-(1-imidazolyl)pentyloxy]phenoxy]-2,2-dimethyl-hexanoic acid
  申请人：Yamanouchi Pharmaceutical Co., Ltd.

  公开号：US04987147A1

  公开（公告）日：1991-01-22

  Novel phenoxy derivatives are provided such as 6-[p-5-(1-imidazolyl)pentyloxy]phenoxy]-2,2-dimethyl-hexanoic acid, pharmaceutical compositions containing the derivative and their use in treating tumors.

  提供了新型的苯氧衍生物，如6-[p-5-(1-咪唑基)戊氧基]苯氧]-2,2-二甲基己酸，其中含有该衍生物的药物组合物及其在治疗肿瘤中的用途。
• Anti-tumor medicament
  申请人：YAMANOUCHI PHARMACEUTICAL CO. LTD.

  公开号：EP0210753A2

  公开（公告）日：1987-02-04

  This disclosure describes compositions of matter useful as growth inhibitors of transplanted tumors in mammals; and discloses the use of such compositions in medicaments for inducing the prevention of, regression and/or palliation of, various types of tumors in mammals (mammary cancer, liver cancer, skin cancer, etc.), said medicaments comprising a compound of the following formula: wherein A represents an imidazolyl group or a pyridyl group, ℓ represents 0 to 1, m and n represent the same or different, represents an integer of 1 to 6, and, R represents a hydrogen atom or a lower alkyl group or a salt thereof: The above formula compounds have low toxicity, and it is expected to apply various types of administration thereof such as oral administration and parenteral administration. In particular, it is expected that the compounds are useful as new type of medical (anti-cancer) compounds which can be administered orally.

  本公开描述了作为哺乳动物移植肿瘤生长抑制剂的物质组合物；并公开了此类组合物在药物中的用途，用于诱导预防、消退和/或缓解哺乳动物的各种类型肿瘤（乳腺癌、肝癌、皮肤癌等），所述药物包括下式化合物： 其中 A 代表咪唑基团或吡啶基团，ℓ 代表 0 至 1、 m 和 n 代表相同或不同、 代表 1 至 6 的整数，且 R 代表氢原子或低级烷基或其盐： 上述配方化合物毒性低，有望应用于各种给药方式，如口服给药和肠外给药。特别是，这些化合物有望作为新型医用（抗癌）化合物，可以口服给药。
• Aryl-di(thio)ether derivatives as antitumoral pharmaceutical compounds
  申请人：YAMANOUCHI PHARMACEUTICAL CO. LTD.

  公开号：EP0254590A2

  公开（公告）日：1988-01-27

  Compounds of formula I and salts thereof and their use for prevention and treatment of tumors

  式 I 的化合物及其盐类以及它们在预防和治疗肿瘤方面的用途
• Novel derivatives, their preparation and pharmaceutical composition containing them
  申请人：YAMANOUCHI PHARMACEUTICAL CO. LTD.

  公开号：EP0397290A1

  公开（公告）日：1990-11-14

  Compounds of formula I and salts thereof and their use for prevention and treatment of tumors.

  式 I 的化合物及其盐类 及其在预防和治疗肿瘤方面的用途。