1-{4-[6,8-dioxo-5,9-bis(2,2,2-trifluoroethoxy)-6,8-dihydro-7H-pyrrolo[3,4-g]quinolin-7-yl]-3-methylphenyl}methanesulfonamide | 915192-38-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 1-{4-[6,8-dioxo-5,9-bis(2,2,2-trifluoroethoxy)-6,8-dihydro-7H-pyrrolo[3,4-g]quinolin-7-yl]-3-methylphenyl}methanesulfonamide
• 英文别名: 5,9-Bis(2,2,2-trifluoroethoxy)-7-[2-methyl-4-(sulfamoylmethyl)phenyl]-7,8-dihydro-6H-pyrrolo[3,4-g]quinoline-6,8-dione；[4-[6,8-dioxo-5,9-bis(2,2,2-trifluoroethoxy)pyrrolo[3,4-g]quinolin-7-yl]-3-methylphenyl]methanesulfonamide
• CAS: 915192-38-0
• 化学式: C₂₃H₁₇F₆N₃O₆S
• 分子量: 577.461
• InChiKey: MZCJYRHBPJFCDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  39
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  137
• 氢给体数：
  1
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  1-{4-[6,8-dioxo-5,9-bis(2,2,2-trifluoroethoxy)-6,8-dihydro-7H-pyrrolo[3,4-g]quinolin-7-yl]-3-methylphenyl}methanesulfonamide 在 三乙基硅烷 、 锂硼氢 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 1-{3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-6,8-dihydro-7H-pyrrolo[3,4-g]quinolin-7-yl]phenyl}methanesulfonamide
  参考文献：
  名称：

  WO2006/122403

  摘要：

  公开号：
• 作为产物：
  描述：

  3-甲基-4-硝基苄溴 在 palladium 10% on activated carbon sodium 3-sulfonatopropionic acid methylester 、 氢气 作用下， 以 乙醇 、 溶剂黄146 、 二甲基亚砜 为溶剂， -10.0~28.0 ℃ 、275.8 kPa 条件下， 反应 12.5h， 生成 1-{4-[6,8-dioxo-5,9-bis(2,2,2-trifluoroethoxy)-6,8-dihydro-7H-pyrrolo[3,4-g]quinolin-7-yl]-3-methylphenyl}methanesulfonamide
  参考文献：
  名称：

  WO2006/122403

  摘要：

  公开号：

文献信息

• Quinoline derivatives as ep4 antagonists
  申请人：Belley Michel

  公开号：US20090099226A1

  公开（公告）日：2009-04-16

  The invention is directed to quinoline derivatives as prostaglandin E type receptor antagonists useful for the treatment of EP4 mediated diseases or conditions, such as acute and chronic pain, osteoarthritis, rheumatoid arthritis and cancer. The derivatives have the following structure of formula (I): wherein A and B represents either a nitrogen atom or a CH group with the proviso that they cannot both simultaneously be CH, Q can represent a nitrogen or a carbon atom, and Y and Z are either a nitrogen atom, a N(O) group or a C(R 5 ) group. Pharmaceutical compositions comprising the derivatives of formula (I) are also included.

  本发明涉及喹啉衍生物作为前列腺素E类型受体拮抗剂，用于治疗EP4介导的疾病或症状，如急性和慢性疼痛、骨关节炎、类风湿性关节炎和癌症。这些衍生物具有以下结构式（I）：其中A和B表示氮原子或CH基团，但不能同时为CH，Q可以表示氮原子或碳原子，Y和Z可以是氮原子、N（O）基团或C（R5）基团。还包括含有式（I）的衍生物的制药组合物。
• Quinoline derivatives as EP4 antagonists
  申请人：Merck Canada Inc.

  公开号：US08013159B2

  公开（公告）日：2011-09-06

  The invention is directed to quinoline derivatives as prostaglandin E type receptor antagonists useful for the treatment of EP4 mediated diseases or conditions, such as acute and chronic pain, osteoarthritis, rheumatoid arthritis and cancer. The derivatives have the following structure of formula (I): wherein A and B represents either a nitrogen atom or a CH group with the proviso that they cannot both simultaneously be CH, Q can represent a nitrogen or a carbon atom, and Y and Z are either a nitrogen atom, a N(O) group or a C(R5) group. Pharmaceutical compositions comprising the derivatives of formula (I) are also included.

  本发明涉及喹啉衍生物作为前列腺素E类型受体拮抗剂，用于治疗EP4介导的疾病或病况，如急性和慢性疼痛、骨关节炎、类风湿性关节炎和癌症。该衍生物具有以下结构式（I）：其中A和B表示氮原子或CH基团，但不能同时为CH，Q可以表示氮或碳原子，而Y和Z则可以是氮原子、N（O）基团或C（R5）基团。还包括含有式（I）衍生物的药物组合物。
• Remote Electronic Control in the Regioselective Reduction of Succinimides: A Practical, Scalable Synthesis of EP4 Antagonist MF-310
  作者：Carmela Molinaro、Danny Gauvreau、Gregory Hughes、Stephen Lau、Sophie Lauzon、Rémy Angelaud、Paul D. O’Shea、Jacob Janey、Michael Palucki、Scott R. Hoerrner、Conrad E. Raab、Rick R. Sidler、Michel Belley、Yongxin Han

  DOI：10.1021/jo901267x

  日期：2009.9.4

  A practical large-scale chromatography-free synthesis of EP4 antagonist MF-310, a potential new treatment for chronic inflammation, is presented. The synthetic route provided MF-310 as its sodium salt in 10 steps and 17% overall yield from commercially available pyridine dicarboxylate 7. The key features of this sequence include a unique regioselective reduction of succinimide 2 controlled by the electronic-properties of a remote pyridine ring, preparation of cyclopropane carboxylic acid 3 via a Corey-Chaykovsky cyclopropanation, and a short synthesis of sulfonamide 5.
• QUINOLINE DERIVATIVES AS EP4 ANTAGONISTS
  申请人：Merck Frosst Canada Ltd.

  公开号：EP1885722A1

  公开（公告）日：2008-02-13
• NOVEL ANTIBODIES
  申请人：Ellis Jonathan Henry

  公开号：US20110262430A1

  公开（公告）日：2011-10-27

  The present invention relates to antibodies or antigen binding fragments thereof which specifically binds to IGF-IR, specifically hIGF-1R. Also disclosed are antibody preparations comprising antibodies or antigen binding fragments of the invention. Methods of producing such antibodies or antigen binding fragments and uses thereof are also included within the scope of the present invention.