4-(1-(4-cyano-3-(trifluoromethyl)phenylcarbamoyl)cyclopropylamino)-2-fluoro-N-methylbenzamide | 1289942-57-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 4-(1-(4-cyano-3-(trifluoromethyl)phenylcarbamoyl)cyclopropylamino)-2-fluoro-N-methylbenzamide
• 英文别名: 4-[[1-[[4-cyano-3-(trifluoromethyl)phenyl]carbamoyl]cyclopropyl]amino]-2-fluoro-N-methylbenzamide
• CAS: 1289942-57-9
• 化学式: C₂₀H₁₆F₄N₄O₂
• 分子量: 420.366
• InChiKey: PPHAZSBGFLQOOG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  94
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-氨基-2-三氟甲基苯甲腈 以 水 为溶剂， 反应 5.0h， 生成 4-(1-(4-cyano-3-(trifluoromethyl)phenylcarbamoyl)cyclopropylamino)-2-fluoro-N-methylbenzamide
  参考文献：
  名称：

  Substituted Phenylcarbamoyl Alkylamino Arene Compounds and N,N'-BIS-Arylurea Compounds

  摘要：

  提供了取代苯基氨基甲酰烷基氨基芳烃；取代苯基硫代氨基甲酰烷基氨基芳烃；取代苯基氨基甲酰烷基氨基杂芳烃；取代苯基硫代氨基甲酰烷基氨基杂芳烃；N-取代芳基，N'-取代芳基脲化合物；N-取代芳基，N'-取代杂芳基脲化合物；N-取代芳基，N'-取代芳基硫脲化合物和N-取代芳基，N'-取代杂芳基硫脲化合物，并可用作雄激素受体调节剂。这些化合物在治疗前列腺癌中可能有特定用途，包括去势耐药性前列腺癌和/或激素敏感性前列腺癌。

  公开号：

  US20130079372A1

文献信息

• Substituted phenylcarbamoyl alkylamino arene compounds and N,N'-BIS-arylurea compounds
  申请人：Chakravarty Sarvajit

  公开号：US09023869B2

  公开（公告）日：2015-05-05

  Substituted phenylcarbamoyl alkylamino arenes; substituted phenylthiocarbamyl alkylamino arenes; substituted phenylcarbamoyl alkylamino heteroarenes; substituted phenylthiocarbamyl alkylamino heteroarenes; N-substituted aryl, N′-substituted aryl urea compounds; N-substituted aryl, N′-substituted heteroaryl urea compounds; N-substituted aryl, N′-substituted aryl thiourea compounds and N-substituted aryl, N′-substituted heteroaryl thiourea compounds are provided and may find use as androgen receptor modulators. The compounds may find particular use in treating prostate cancer, including castration-resistant prostate cancer and/or hormone-sensitive prostate cancer.

  提供了取代苯基氨基烷基酰胺芳烃；取代苯基硫脲基烷基氨基芳烃；取代苯基氨基烷基酰胺杂芳烃；取代苯基硫脲基烷基氨基杂芳烃；N-取代芳基，N'-取代芳基脲类化合物；N-取代芳基，N'-取代杂芳基脲类化合物；N-取代芳基，N'-取代芳基硫脲类化合物和N-取代芳基，N'-取代杂芳基硫脲类化合物，并可用作雄激素受体调节剂。这些化合物可以在治疗前列腺癌中发挥特殊作用，包括去势抵抗性前列腺癌和/或激素敏感性前列腺癌。
• Substituted phenylcarbamoyl alkylamino arene compounds and N,N′-BIS-arylurea compounds
  申请人：Medivation Technologies, Inc.

  公开号：US09126962B2

  公开（公告）日：2015-09-08

  Substituted phenylcarbamoyl alkylamino arenes; substituted phenylthiocarbamyl alkylamino arenes; substituted phenylcarbamoyl alkylamino heteroarenes; substituted phenylthiocarbamyl alkylamino heteroarenes; N-substituted aryl, N′-substituted aryl urea compounds; N-substituted aryl, N′-substituted heteroaryl urea compounds; N-substituted aryl, N′-substituted aryl thiourea compounds and N-substituted aryl, N′-substituted heteroaryl thiourea compounds are provided and may find use as androgen receptor modulators. The compounds may find particular use in treating prostate cancer, including castration-resistant prostate cancer and/or hormone-sensitive prostate cancer.

  提供了取代苯基氨基烷基酰胺芳烃；取代苯基硫脲基烷基氨基芳烃；取代苯基氨基烷基酰胺杂芳烃；取代苯基硫脲基烷基氨基杂芳烃；N-取代芳基，N'-取代芳基脲化合物；N-取代芳基，N'-取代杂芳基脲化合物；N-取代芳基，N'-取代芳基硫脲化合物和N-取代芳基，N'-取代杂芳基硫脲化合物，可以用作雄激素受体调节剂。这些化合物可以在治疗前列腺癌，包括去势抵抗性前列腺癌和/或激素敏感性前列腺癌方面发挥特定作用。
• TREATMENT OF BREAST CANCER
  申请人：Medivation Prostate Therapeutics LLC

  公开号：EP3430907A1

  公开（公告）日：2019-01-23

  The disclosure describes the use of one or more compounds that fall within the scope of one or more of structural formulae I, II, III, IV, V, or VI for treating triple negative breast Compounds useful for treating breast cancer include those compounds of formulae I, II, III, IV, V, or VI that inhibit proliferation of breast cancer cells and/or lead to the death of breast cancer cells, especially triple negative breast cancer.

  本公开描述了一种或多种属于结构式 I、II、III、IV、V 或 VI 中的一种或多种范围内的化合物用于治疗三阴性乳腺癌的用途。 用于治疗乳腺癌的化合物包括式 I、II、III、IV、V 或 VI 中可抑制乳腺癌细胞增殖和/或导致乳腺癌细胞（尤其是三阴性乳腺癌）死亡的化合物。
• Treatment of Breast Cancer
  申请人：Medivation Prostate Therapeutics, Inc.

  公开号：US20170087132A1

  公开（公告）日：2017-03-30

  This disclosure describes the use of one or more compounds that fall within the scope of one or more structural formula I, II, III, IV, V, or VI for treating triple negative breast cancer. Compounds useful for treating breast cancer include those compounds of formulae I, II, III, IV, V, or VI that inhibit proliferation of breast cancer cells and/or lead to the death of breast cancer cells, especially triple negative breast cancer.
• US9023869B2
  申请人：——

  公开号：US9023869B2

  公开（公告）日：2015-05-05