9H-Thioxanthene-9-acetic acid | 1503-19-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻喃类
• 英文名称: 9H-Thioxanthene-9-acetic acid
• 英文别名: thioxanthen-9-yl-acetic acid；Thioxanthen-9-yl-essigsaeure；(9H-thioxanthen-9-yl)-acetic acid；9H-thioxanthen-9-ylacetic acid；2-(9H-thioxanthen-9-yl)acetic acid
• CAS: 1503-19-1
• 化学式: C₁₅H₁₂O₂S
• 分子量: 256.325
• InChiKey: LIFXDEVULUYUKX-UHFFFAOYSA-N

物化性质

• 熔点：
  167-168 °C
• 沸点：
  437.3±24.0 °C(Predicted)
• 密度：
  1.296±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  62.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  9H-Thioxanthene-9-acetic acid 在 双氧水 作用下， 以 溶剂黄146 为溶剂， 反应 7.0h， 生成 9-(1H-benzimidazol-2-ylmethyl)-9H-thioxanthene 10,10-dioxide
  参考文献：
  名称：

  Okabayashi, Ichizo; Fujiwara, Hidetoshi, Journal of Heterocyclic Chemistry, 1984, vol. 21, p. 1401 - 1402

  摘要：

  DOI：
• 作为产物：
  描述：

  thioxanthen-9-yl-malonic acid 在 吡啶 作用下， 生成 9H-Thioxanthene-9-acetic acid
  参考文献：
  名称：

  Okabayashi, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1958, vol. 78, p. 274,277

  摘要：

  DOI：

文献信息

• Tetronic and tetramic acids
  申请人：Godel Thierry

  公开号：US20050119329A1

  公开（公告）日：2005-06-02

  This invention relates to new tetronic and tetramic acid derivatives with beta-secretase inhibitory activity of formula I: wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 5′ , R 6 and R 6′ are as defined hereinabove, to processes for their preparation, compositions containing said tetronic and tetramic acid derivatives and their use in the treatment and prevention of diseases modulated by an inhibitor of β-secretase, such as Alzheimer's disease.

  这项发明涉及具有β-分泌酶抑制活性的新四元和四酰胺衍生物的化学式I： 其中R1、R2、R3、R4、R5、R5'、R6和R6'如上所定义，以及它们的制备过程、含有所述四元和四酰胺衍生物的组合物以及它们在治疗和预防由β-分泌酶抑制剂调节的疾病中的用途，如阿尔茨海默病。
• MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF
  申请人：Weinstein David S.

  公开号：US20090075995A1

  公开（公告）日：2009-03-19

  Novel non-steroidal compounds are provided which are useful in treating diseases associated with modulation of the glucocorticoid receptor, AP-1, and/or NF-κB activity, including inflammatory and immune diseases, having the structure of formula (I): an enantiomer, diastereomer, or tautomer thereof, or a prodrug ester thereof, or a pharmaceutically-acceptable salt thereof, in which: Z is heterocyclo or heteroaryl; A is a 5- to 8-membered carbocyclic ring or a 5- to 8-membered heterocyclic ring; B is a cycloalkyl, cycloalkenyl, aryl, heterocyclo, or heteroaryl ring, wherein each ring is fused to the A ring on adjacent atoms and optionally substituted by one to four groups which are the same or different and are independently selected from R 5 , R 6 , R 7 , and R 8 ; J 1 , J 2 , and J 3 are at each occurrence the same or different and are independently -A 1 QA 2 -; Q is a bond, O, S, S(O), or S(O) 2 ; A 1 and A 2 are the same or different and are at each occurrence independently selected from a bond, C 1-3 alkylene, substituted C 1-3 alkylene, C 2-4 alkenylene, and substituted C 2-4 alkenylene, provided that A 1 and A 2 are chosen so that ring A is a 5- to 8-membered carbocyclic or heterocyclic ring; R 1 to R 11 are as defined herein. Also provided are pharmaceutical compositions and methods of treating inflammatory- or immune-associated diseases and obesity and diabetes employing said compounds.

  提供了一系列新颖的非甾体化合物，这些化合物在治疗与糖皮质激素受体、AP-1和/或NF-κB活性调节相关的疾病中很有用，包括炎性和免疫疾病，具有以下结构式（I）： 其对应的光学异构体、对映异构体或互变异构体，或其前药酯，或其药用可接受盐，其中： Z是杂环或杂芳基； A是一个5至8成员的碳环或一个5至8成员的杂环； B是一个环烷基、环烯基、芳基、杂环或杂芳基环，其中每个环都与A环上的相邻原子融合，并且可以选择性地被一个到四个独立选自R5、R6、R7和R8的相同或不同的组取代； J1、J2和J3每次出现时相同或不同，独立地选自-A1QA2-；Q是键、O、S、S(O)或S(O)2；A1和A2相同或不同，每次出现时独立地选自键、C1-3烷基、取代的C1-3烷基、C2-4烯基和取代的C2-4烯基，前提是A1和A2的选择使得环A是一个5至8成员的碳环或杂环； R1至R11如本文所述定义。 还提供了使用这些化合物的药物组合物和治疗炎性疾病、免疫相关疾病、肥胖和糖尿病的方法。
• TETRONIC AND TETRAMIC ACIDS
  申请人：Godel Thierry

  公开号：US20080132562A1

  公开（公告）日：2008-06-05

  This invention relates to new tetronic and tetramic acid derivatives with beta-secretase inhibitory activity of formula I: wherein R1, R2, R3, R4, R5, R5′, R6 and R6′ are as defined hereinabove, to processes for their preparation, compositions containing said tetronic and tetramic acid derivatives and their use in the treatment and prevention of diseases modulated by an inhibitor of β-secretase, such as Alzheimer's disease.

  本发明涉及一种新的具有β-分泌酶抑制活性的四元酸和四元酰胺衍生物，其化学式为I：其中R1、R2、R3、R4、R5、R5'、R6和R6'如上所定义，以及其制备过程、含有所述四元酸和四元酰胺衍生物的组合物以及它们在治疗和预防由β-分泌酶抑制剂调节的疾病，如阿尔茨海默病等方面的用途。
• Okabayashi, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1958, vol. 78, p. 498,501
  作者：Okabayashi

  DOI：——

  日期：——
• Biosynthesis of Penicillins. VI. N-2-Hydroxyethylamides of Some Polycyclic and Heterocyclic Acetic Acids as Precursors¹
  作者：Reuben G. Jones、Quentin F. Soper、Otto K. Behrens、Joseph W. Corse

  DOI：10.1021/ja01189a002

  日期：1948.9