N-羟基-1-(2-甲氧基乙基)-4-[4-[4-(三氟甲氧基)苯氧基]苯基]磺酰基]-4-哌啶甲酰胺盐酸盐 | 226395-93-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-羟基-1-(2-甲氧基乙基)-4-[4-[4-(三氟甲氧基)苯氧基]苯基]磺酰基]-4-哌啶甲酰胺盐酸盐
• 英文名称: SC-78080
• 英文别名: N-hydroxy-1-(2-methoxyethyl)-4-({4-[4-(trifluoromethoxy)phenoxy]phenyl}sulfonyl)piperidine-4-carboxamide hydrochloride；N-Hydroxy-1-(2-methoxyethyl)-4-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonyl}-4-piperidinecarboxamide, Monohydrochloride；SD 2590 hydrochloride；N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride
• CAS: 226395-93-3
• 化学式: C₂₂H₂₅F₃N₂O₇S*ClH
• 分子量: 554.972
• InChiKey: HJJOIVGDTLHVTK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.56
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  123
• 氢给体数：
  3
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  1-(2-methoxyethyl)-N-(oxan-2-yloxy)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide 在 盐酸 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 反应 3.0h， 以78.2%的产率得到N-羟基-1-(2-甲氧基乙基)-4-[4-[4-(三氟甲氧基)苯氧基]苯基]磺酰基]-4-哌啶甲酰胺盐酸盐
  参考文献：
  名称：

  Orally Active MMP-1 Sparing α-Tetrahydropyranyl and α-Piperidinyl Sulfone Matrix Metalloproteinase (MMP) Inhibitors with Efficacy in Cancer, Arthritis, and Cardiovascular Disease

  摘要：

  alpha-Sulfone-alpha-piperidine and alpha-tetrahydropyranyl hydroxamates were explored that are potent inhibitors of MMP's-2, -9, and -13 that spare MMP-1, with oral efficacy in inhibiting tumor growth in mice and left-ventricular hypertrophy in rats and in the bovine cartilage degradation ex vivo explant system. alpha-Piperidine 19v (SC-78080/SD-2590) was selected for development toward the initial indication of cancer, while alpha-piperidine and alpha-tetrahydropyranyl hydroxamates 19w (SC-77964) and 9l (SC-77774), respectively, were identified as backup compounds.

  DOI：

  10.1021/jm100669j

文献信息

• Method of using a COX-2 inhibitor and a TACE inhibitors as a combination therapy
  申请人：Pharmacia Corporation

  公开号：US20040122011A1

  公开（公告）日：2004-06-24

  The present invention provides compositions and methods to treat, prevent or inhibit a neoplasia, a neoplasia-related disorder, pain, inflammation, an inflammatory-related disorder, a vaso-occlusive event or a vaso-occlusive-related disorder in a mammal using a combination of a COX-2 inhibitor and a TACE inhibitor.

  本发明提供了一种使用COX-2抑制剂和TACE抑制剂的组合物和方法，以治疗、预防或抑制哺乳动物中的肿瘤、肿瘤相关疾病、疼痛、炎症、炎症相关疾病、血管闭塞性事件或血管闭塞性相关疾病。
• Combination therapy including a matrix metalloproteinase inhibitor and an antineoplastic agent
  申请人：McKearn P. John

  公开号：US20050058725A1

  公开（公告）日：2005-03-17

  The present invention provides methods to treat or prevent neoplasia disorders in a mammal using a combination of a matrix metalloproteinase inhibitor and an antineoplastic agent.

  本发明提供了使用基质金属蛋白酶抑制剂和抗肿瘤剂组合治疗或预防哺乳动物肿瘤疾病的方法。
• USE OF A MATRIX METALLAPROTEINASE INHIBITOR AND RADIATION AS A COMBINED TREATMENT OF NEOPLASIA
  申请人：G.D. SEARLE & CO.

  公开号：EP1140178A2

  公开（公告）日：2001-10-10
• USE OF A MATRIX METALLOPROTEINASE INHIBITOR TOGETHER WITH AN ANTINEOPLASTIC AGENT, OPTIONALLY ALSO TOGETHER WITH RADIATION, IN THE TREATMENT OF NEOPLASIA
  申请人：G.D. SEARLE & CO.

  公开号：EP1140182A2

  公开（公告）日：2001-10-10
• USE OF A MATRIX METALLOPROTEINASE INHIBITOR AND AN INTEGRIN ANTAGONIST IN THE TREATMENT OF NEOPLASIA
  申请人：G.D. SEARLE & CO.

  公开号：EP1140183A1

  公开（公告）日：2001-10-10