3-(3,4-二氢-1H-异喹啉-2-磺酰基)-苯甲酸 | 327092-81-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 中文名称: 3-(3,4-二氢-1H-异喹啉-2-磺酰基)-苯甲酸
• 英文名称: 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid
• 英文别名: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid
• CAS: 327092-81-9
• 化学式: C₁₆H₁₅NO₄S
• mdl: MFCD01197550
• 分子量: 317.4
• InChiKey: ZGVIUMKHTXKKOX-UHFFFAOYSA-N

物化性质

• 沸点：
  555.1±60.0 °C(Predicted)
• 密度：
  1.397±0.06 g/cm3(Predicted)
• 溶解度：
  DMF：33mg/mL； DMSO：25mg/mL；乙醇：微溶； PBS（pH 7.2）：0.25 mg/mL

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.187
• 拓扑面积：
  83.1
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H317,H319

文献信息

• Inhibitors of serine proteases
  申请人：Cottrell M. Kevin

  公开号：US20070179167A1

  公开（公告）日：2007-08-02

  The present invention relates to compounds of formula I: or a pharmaceutically acceptable salt or mixtures thereof that inhibit serine protease activity, particularly the activity of hepatitis C virus NS3-NS4A protease.

  本发明涉及式I的化合物：或其药物可接受的盐或混合物，其抑制丝氨酸蛋白酶活性，特别是乙型肝炎病毒NS3-NS4A蛋白酶的活性。
• INHIBITORS OF SERINE PROTEASES
  申请人：Cottrell Kevin M.

  公开号：US20110165120A1

  公开（公告）日：2011-07-07

  The present invention relates to compounds of formula I: or a pharmaceutically acceptable salt or mixtures thereof that inhibit serine protease activity, particularly the activity of hepatitis C virus NS3-NS4A protease.

  本发明涉及式I的化合物：或其药学上可接受的盐或混合物，其抑制丝氨酸蛋白酶活性，特别是乙型肝炎病毒NS3-NS4A蛋白酶的活性。
• Spirocyclic inhibitors of serine proteases for the treatment of hcv infections
  申请人：VERTEX PHARMACEUTICALS INCORPORATED

  公开号：EP2631238A1

  公开（公告）日：2013-08-28

  The present invention relates to compounds of formula (I): or a pharmaceutically acceptable salt thereof. These compounds inhibit serine protease, particularly the hepatitis C virus NS3-NS4A protease.

  本发明涉及式（I）化合物或其药学上可接受的盐。这些化合物可抑制丝氨酸蛋白酶，特别是丙型肝炎病毒 NS3-NS4A 蛋白酶。
• Treatment of metastatic prostate cancer
  申请人：The Regents of the University of California

  公开号：US11215617B2

  公开（公告）日：2022-01-04

  The present invention provides new compositions and methods for treating prostate cancer, e.g., drug-resistant prostate cancer, such as anti-androgen drug (e.g., enzalutamide) resistant and/or castration resistant prostate cancer (CRPC). These new compositions include, but are not limited to, pharmaceutical compositions that include an AR-V7 inhibitor, such as niclosamide. Alternatively, these new compositions can include, but are not limited to, pharmaceutical compositions that include an AKR1C3 inhibitor, such as indomethacin. These new methods include, but are not limited to, methods of administering an AR-V7 inhibitor, such as niclosamide, and/or an AKR1C3 inhibitor, such as indomethacin, to treat patients having prostate cancer. The present invention also provides methods of inhibiting androgen receptor variant expression, e.g. AR-V7, and methods of killing cells expressing AR-V7. The present invention further provides methods of inhibiting AKR1C3 expression or activity, and methods of killing cells that express AKR1C3.

  本发明提供了治疗前列腺癌，例如耐药前列腺癌，如抗雄激素药物（如恩扎鲁胺）耐药和/或阉割耐药前列腺癌（CRPC）的新组合物和方法。这些新组合物包括但不限于包括AR-V7抑制剂如尼可刹米的药物组合物。或者，这些新组合物可以包括但不限于包括AKR1C3抑制剂（如吲哚美辛）的药物组合物。这些新方法包括但不限于施用AR-V7抑制剂如尼可刹米和/或AKR1C3抑制剂如吲哚美辛治疗前列腺癌患者的方法。本发明还提供了抑制雄激素受体变体（如 AR-V7）表达的方法，以及杀死表达 AR-V7 的细胞的方法。本发明进一步提供了抑制AKR1C3表达或活性的方法，以及杀死表达AKR1C3的细胞的方法。
• TREATMENT OF METASTATIC PROSTATE CANCER
  申请人：The Regents of the University of California

  公开号：EP3062808A1

  公开（公告）日：2016-09-07