4-methylthiepane 1,1-dioxide | 1393561-32-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻庚烷
• 英文名称: 4-methylthiepane 1,1-dioxide
• CAS: 1393561-32-4
• 化学式: C₇H₁₄O₂S
• 分子量: 162.253
• InChiKey: MOHWUKYJTSTRML-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  42.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  5-氧代-4-噻吩甲酸乙酯 在 sodium tetrahydroborate 、 palladium 10% on activated carbon 、 氢气 、 二异丁基氢化铝 、 三乙基硼氢化锂 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 三乙胺 、 间氯过氧苯甲酸 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 正庚烷 、 二氯甲烷 为溶剂， -78.0~20.0 ℃ 、200.0 kPa 条件下， 反应 10.83h， 生成 4-methylthiepane 1,1-dioxide
  参考文献：
  名称：

  通过 Ir 催化不对称加氢对映选择性合成手性砜：制备手性烯丙基和均烯丙基化合物的简便方法

  摘要：

  开发了一种高效且对映选择性 Ir 催化的不饱和砜加氢反应。以优异的对映选择性（高达 98% ee）生产手性环状和无环砜。与 Ramberg-Bäcklund 重排相结合，该反应提供了一种获得具有优异对映选择性（高达 97% ee）和高产率（高达 94%）的手性烯丙基和同型烯丙基化合物的新途径。

  DOI：

  10.1021/ja306731u

文献信息

• Methods and compositions of novel triazine compounds
  申请人：Timmer T. Richard

  公开号：US20070099874A1

  公开（公告）日：2007-05-03

  The present invention relates to methods and compositions comprising compounds that treat pathophysiological conditions arising from inflammatory responses. In particular, the present invention is directed to compounds that inhibit or block glycated protein produced induction of the signaling-associated inflammatory response in endothelial cells. The present invention relates to compounds that inhibit smooth muscle proliferation. In particular, the present invention is directed to compounds that inhibit smooth muscle cell proliferation by modulating HSPGs such as Perlecan. The present invention further relates to the use of compounds to treat vascular occlusive conditions characterized by smooth muscle proliferation such as restenosis and atherosclerosis.

  本发明涉及用于治疗由炎症反应引起的病理生理状态的化合物的方法和组合物。特别地，本发明涉及抑制或阻断糖化蛋白诱导内皮细胞信号相关炎症反应的化合物。本发明涉及抑制平滑肌增殖的化合物。特别地，本发明涉及通过调节HSPG（如Perlecan）来抑制平滑肌细胞增殖的化合物。本发明进一步涉及使用化合物治疗由平滑肌增殖所特征的血管闭塞性疾病，例如再狭窄和动脉粥样硬化。
• Medical devices employing triazine compounds and compositions thereof
  申请人：Timmer T. Richard

  公开号：US20070122444A1

  公开（公告）日：2007-05-31

  The present invention relates to methods, compounds, and compositions comprising compounds that treat pathophysiological conditions arising from inflammatory responses, and is directed to compounds that inhibit or block glycated protein produced induction of the signaling-associated inflammatory response in endothelial cells. The present invention also relates to compounds that inhibit smooth muscle proliferation, for example, by modulating HSPGs such as Perlecan. The present invention further relates to the use of compounds to treat vascular occlusive conditions characterized by smooth muscle proliferation such as restenosis and atherosclerosis. This invention also relates to medical devices, such as a stent, comprising a compound or composition of this invention disposed on or within the medical device.

  本发明涉及用于治疗由炎症反应引起的病理生理条件的方法、化合物和组合物，其针对的是抑制或阻断糖基化蛋白诱导的内皮细胞信号相关炎症反应的化合物。本发明还涉及抑制平滑肌增殖的化合物，例如通过调节HSPGs（如Perlecan）来实现。本发明进一步涉及使用化合物来治疗由平滑肌增殖所特征的血管闭塞性疾病，例如再狭窄和动脉粥样硬化。本发明还涉及医疗器械，例如支架，其包括本发明的化合物或组合物在医疗器械上或内部安置。
• INDOLE CARBOXAMIDES AS IKK2 INHIBITORS
  申请人：Boehm Jeffrey Charles

  公开号：US20120040958A1

  公开（公告）日：2012-02-16

  The invention is directed to novel indole carboxamide compounds. Specifically, the invention is directed to compounds according to formula (I): wherein R1, R2, R3, R4, and m are as defined herein. The compounds of the invention are inhibitors of IKK2 and can be useful in the treatment of disorders associated with inappropriate IKK2 (also known as IKKβ) activity, such as rheumatoid arthritis, asthma, rhinitis, and COPD (chronic obstructive pulmonary disease). Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting IKK2 activity and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  本发明涉及新型吲哚羧酰胺化合物。具体而言，本发明涉及符合式(I)的化合物：其中R1、R2、R3、R4和m的定义如本文所述。本发明的化合物是IKK2的抑制剂，可用于治疗与不适当的IKK2（也称为IKKβ）活性相关的疾病，如类风湿性关节炎、哮喘、鼻炎和COPD（慢性阻塞性肺疾病）。因此，本发明进一步涉及包含本发明化合物的制药组合物。本发明还涉及使用本发明化合物或包含本发明化合物的制药组合物来抑制IKK2活性和治疗与之相关的疾病的方法。
• US7265114B2
  申请人：——

  公开号：US7265114B2

  公开（公告）日：2007-09-04
• US7332490B2
  申请人：——

  公开号：US7332490B2

  公开（公告）日：2008-02-19