(2-acetylamino-4-trifluoromethylphenyl)-acetic acid methyl ester

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (2-acetylamino-4-trifluoromethylphenyl)-acetic acid methyl ester
• 英文别名: methyl 2-[2-acetamido-4-(trifluoromethyl)phenyl]acetate
• 化学式: C₁₂H₁₂F₃NO₃
• 分子量: 275.227
• InChiKey: YNOXSBNSTLVMBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (2-acetylamino-4-trifluoromethylphenyl)-acetic acid methyl ester 在 5%-palladium/activated carbon 、 四丁基碘化铵 甲醇 、 manganese(IV) oxide 、 lithium hydroxide 、 亚硝酸特丁酯 、 水 、 氢气 、 二异丁基氢化铝 、 potassium carbonate 、 溶剂黄146 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 乙腈 为溶剂， -78.0~95.0 ℃ 、101.33 kPa 条件下， 反应 24.25h， 生成 3-[1-(2,4-dichlorobenzyl)-5-trifluoromethyl-1H-indazol-3-yl]-propionic acid
  参考文献：
  名称：

  Lonidamine analogues and their use in male contraception and cancer treatment

  摘要：

  用于抑制精子生成和癌症治疗的新化合物，特别是作为热休克蛋白和/或延长因子1α的抑制剂。

  公开号：

  US20060047126A1
• 作为产物：
  描述：

  4-氯-3-硝基三氟甲苯 在 5%-palladium/activated carbon potassium tert-butylate 、 氢气 、 sodium chloride 作用下， 以 水 、 二甲基亚砜 、 甲苯 、 叔丁醇 为溶剂， 20.0~120.0 ℃ 、101.33 kPa 条件下， 反应 31.0h， 生成 (2-acetylamino-4-trifluoromethylphenyl)-acetic acid methyl ester
  参考文献：
  名称：

  Lonidamine analogues and their use in male contraception and cancer treatment

  摘要：

  用于抑制精子生成和癌症治疗的新化合物，特别是作为热休克蛋白和/或延长因子1α的抑制剂。

  公开号：

  US20060047126A1

文献信息

• LONIDAMINE ANALOGUES FOR FERTILITY MANAGEMENT
  申请人：Georg Ingrid Gunda

  公开号：US20110060003A1

  公开（公告）日：2011-03-10

  Fertility management can include: administering to the subject one or more doses of a compound according to Formula I so as to reduce fertility in the subject. Fertility management can also include administering an effective amount of the compound to: impair Sertoli cell function in a male subject; inhibit spermatogenesis in the subject; reduce testis weight in the subject; reduce ovary weight in a female subject; reduce serum progesterone in the female subject; impair ovarian follicle function in the female subject; causing reversible fertility in the subject. In order to return fertility, the method can include ceasing administration of the compound to the subject so as to return fertility in the subject. The compound can be administered for irreversibly sterilizing the subject.

  生育管理可以包括：根据公式I的一个或多个剂量给予受试者一种化合物，以降低受试者的生育能力。生育管理还可以包括给予化合物的有效量：破坏雄性受试者的精原细胞功能；抑制受试者的精子生成；减少受试者的睾丸重量；减少雌性受试者的卵巢重量；减少雌性受试者的血清孕酮；破坏雌性受试者的卵巢滤泡功能；导致受试者可逆的生育能力。为了恢复生育能力，该方法可以包括停止给予化合物以使受试者恢复生育能力。该化合物可以用于对受试者进行不可逆的绝育。
• Lonidamine analogues and treatment of polycystic kidney disease
  申请人：Georg Ingrid Gunda

  公开号：US08362031B2

  公开（公告）日：2013-01-29

  Lonidamine derivatives can be useful in methods of treating, inhibiting, and/or preventing polycystic kidney disease (PKD). Accordingly, lonidamine derivatives can be administered in a therapeutically effective amount for inhibiting, and/or preventing polycystic kidney disease (PKD) in the subject. This can include administering a therapeutically effective amount of the lonidamine derivatives for inhibiting CFTR and/or Hsp90 or biological pathway thereof. Also, the method can include administering the lonidamine derivatives in a therapeutically effective amount for inhibiting ErbB2, Src, Raf-1, B-Raf, MEK, Cdk4, NKCC1, or combinations thereof. For example, the therapeutically effective amount of the lonidamine derivatives can be configured so as to provide a concentration in or adjacent to a kidney cell of about 0.25 uM or more or less.

  Lonidamine衍生物可以用于治疗、抑制和/或预防多囊肾病（PKD）的方法中。因此，可以在治疗上对受体施用治疗有效量的Lonidamine衍生物以抑制和/或预防多囊肾病（PKD）。这可以包括施用治疗有效量的Lonidamine衍生物以抑制CFTR和/或Hsp90或其生物途径。此外，该方法可以包括施用治疗有效量的Lonidamine衍生物以抑制ErbB2、Src、Raf-1、B-Raf、MEK、Cdk4、NKCC1或其组合。例如，Lonidamine衍生物的治疗有效量可以被配置为在肾细胞内或相邻的浓度为大约0.25 uM或更高或更低。
• Lonidamine analogues for fertility management
  申请人：Georg Ingrid Gunda

  公开号：US08377958B2

  公开（公告）日：2013-02-19

  Fertility management can include: administering to the subject one or more doses of a compound according to Formula I so as to reduce fertility in the subject. Fertility management can also include administering an effective amount of the compound to: impair Sertoli cell function in a male subject; inhibit spermatogenesis in the subject; reduce testis weight in the subject; reduce ovary weight in a female subject; reduce serum progesterone in the female subject; impair ovarian follicle function in the female subject; causing reversible fertility in the subject. In order to return fertility, the method can include ceasing administration of the compound to the subject so as to return fertility in the subject. The compound can be administered for irreversibly sterilizing the subject.

  生育管理可以包括：根据公式I的一个或多个剂量给受试者注射化合物，以减少受试者的生育能力。生育管理还可以包括给男性受试者注射有效量的化合物，以损害Sertoli细胞功能；抑制受试者的精子生成；减少受试者的睾丸重量；减少女性受试者的卵巢重量；减少女性受试者的血清孕酮；损害女性受试者的卵泡功能；导致受试者可逆的不育。为了恢复生育能力，该方法可以包括停止给受试者注射化合物，以恢复受试者的生育能力。该化合物可以用于永久性绝育受试者。
• LONIDAMINE ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE
  申请人：Georg Ingrid Gunda

  公开号：US20090197911A1

  公开（公告）日：2009-08-06

  Lonidamine derivatives can be useful in methods of treating, inhibiting, and/or preventing polycystic kidney disease (PKD). Accordingly, lonidamine derivatives can be administered in a therapeutically effective amount for inhibiting, and/or preventing polycystic kidney disease (PKD) in the subject. This can include administering a therapeutically effective amount of the lonidamine derivatives for inhibiting CFTR and/or Hsp90 or biological pathway thereof. Also, the method can include administering the lonidamine derivatives in a therapeutically effective amount for inhibiting ErbB2, Src, Raf-1, B-Raf, MEK, Cdk4, NKCC1, or combinations thereof. For example, the therapeutically effective amount of the lonidamine derivatives can be configured so as to provide a concentration in or adjacent to a kidney cell of about 0.25 uM or more or less.

  Lonidamine衍生物可用于治疗、抑制和/或预防多囊肾病（PKD）的方法中。因此，可以在治疗上有效的剂量下向受体内投入Lonidamine衍生物以抑制和/或预防多囊肾病（PKD）。这可以包括向受体注射治疗上有效的Lonidamine衍生物剂量以抑制CFTR和/或Hsp90或其生物途径。此外，该方法可以包括向受体注射治疗上有效的Lonidamine衍生物剂量以抑制ErbB2、Src、Raf-1、B-Raf、MEK、Cdk4、NKCC1或其组合。例如，Lonidamine衍生物的治疗上有效的剂量可以配置为在或邻近肾细胞中提供约0.25 uM或更高或更低的浓度。
• LONIDAMINE ANALOGUES AND THEIR USE IN MALE CONTRACEPTION AND CANCER TREATMENT
  申请人：THE UNIVERSITY OF KANSAS

  公开号：EP1786424A2

  公开（公告）日：2007-05-23