2,3-Dimethyl-4,5,6,7-tetrahydro-1-benzothiophene | 27586-54-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: 2,3-Dimethyl-4,5,6,7-tetrahydro-1-benzothiophene
• CAS: 27586-54-5
• 化学式: C₁₀H₁₄S
• 分子量: 166.287
• InChiKey: YIJOJUYUDPDPKA-UHFFFAOYSA-N

物化性质

• 沸点：
  254.4±9.0 °C(Predicted)
• 密度：
  1.050±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  28.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  甲醇 、 2,3-Dimethyl-4,5,6,7-tetrahydro-1-benzothiophene 在 氧气 、 亚甲兰 作用下， 生成 7a-Methoxy-2,3-dimethyl-1-oxo-2,4,5,6,7,7a-hexahydro-1H-1λ4-benzo[b]thiophen-2-ol
  参考文献：
  名称：

  Reactions of singlet oxygen with thiophenes

  摘要：

  DOI：

  10.1016/s0040-4039(01)97832-3
• 作为产物：
  描述：

  2,3-dimethyl-2,4,5,6,7,7a-hexahydro-1-benzothiophene-3,3a-diol 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 1.0h， 以92%的产率得到2,3-Dimethyl-4,5,6,7-tetrahydro-1-benzothiophene
  参考文献：
  名称：

  General synthesis of polysubstituted thiophenes from diketo sulfides

  摘要：

  DOI：

  10.1016/s0040-4039(00)98358-8

文献信息

• Pyridobenzazepine compounds and methods for inhibiting mitotic progression
  申请人：Claiborne F. Christopher

  公开号：US20080045501A1

  公开（公告）日：2008-02-21

  This invention relates to compounds and methods for the treatment of cancer. In particular, the invention provides compounds that inhibit Aurora kinase, pharmaceutical compositions comprising the compounds, and methods of using the compounds for the treatment of cancer.

  这项发明涉及用于治疗癌症的化合物和方法。具体而言，该发明提供了抑制枢纽激酶的化合物，包括这些化合物的药物组合物，以及使用这些化合物治疗癌症的方法。
• NITROGEN CONTAINING HETEROARYL COMPOUNDS
  申请人：Bleicher Konrad

  公开号：US20110306589A1

  公开（公告）日：2011-12-15

  The invention is concerned with novel nitrogen-containing heteroaryl compounds of formula (I) wherein A 1 , A 2 , R 1 , R 2 , R 3 , R 4 , R 5 and R 6 are as defined in the description and in the claims, as well as physiologically acceptable salts and esters thereof. These compounds inhibit PDE10A and can be used as therapeutics.

  这项发明涉及一种新颖的含氮杂环芳基化合物，其化学式为（I），其中A1、A2、R1、R2、R3、R4、R5和R6如描述和索赔中所定义，并且其生理上可接受的盐和酯。这些化合物抑制PDE10A并可用作治疗药物。
• Neuronal Pain Pathway Modulators
  申请人：Ambron Richard

  公开号：US20080176920A1

  公开（公告）日：2008-07-24

  The present invention relates to compounds that may be used to inhibit activation of protein kinase G (“PKG”). It is based, at least in part, on the discovery of the tertiary structure of PKG and the identification of molecules that either bind to the active site of PKG and/or are analogs of balanol.

  本发明涉及可用于抑制蛋白激酶G（PKG）激活的化合物。至少部分基于对PKG的三级结构的发现以及发现绑定于PKG活性位点和/或是巴洛酮类似物的分子的识别。
• Compounds and methods for inhibiting mitotic progression
  申请人：Claiborne F. Christoper

  公开号：US20070185087A1

  公开（公告）日：2007-08-09

  This invention relates to compounds and methods for the treatment of cancer. In particular, the invention provides compounds that inhibit Aurora kinase, pharmaceutical compositions comprising the compounds, and methods of using the compounds for the treatment of cancer.

  本发明涉及化合物和治疗癌症的方法。具体而言，本发明提供抑制极化激酶的化合物，包含该化合物的制药组合物以及使用该化合物治疗癌症的方法。
• Pyrimidine derivatives
  申请人：Sato Michitaka

  公开号：US20070197551A1

  公开（公告）日：2007-08-23

  This invention provides pyrimidine derivatives represented by a formula, in the formula, ring A stands for carbocyclic group or heterocyclic group, X 1 stands for hydrogen, lower alkyl, amino, etc., X 2 stands for hydrogen or lower alkyl, Y stands for a direct bond or sulfur or nitrogen, n stands for an integer of 0-4, and Ar stands for a group of the following formula, or a salt thereof, which concurrently exhibit 5-HT 1A agonistic activity and 5-HT 3 antagonistic activity and are useful for therapy and treatments of diseases such as IBS. The invention furthermore provides a therapeutic method of IBS, characterized by having 5-HT 1A agonistic activity and 5-HT 3 antagonistic activity work simultaneously and cooperatively in vivo, which comprises either administering 5-HT 3 antagonistic agent which concurrently exhibits 5-HT 1A agonistic activity, or administering 5-HT 1A agonistic agent and 5-HT 3 antagonistic agent simultaneously, in sequence or at an interval.

  本发明提供了由下式表示的嘧啶衍生物，其中，环A代表碳环基团或杂环基团，X1代表氢、低碳基、氨基等，X2代表氢或低碳基，Y代表直接键或硫或氮，n代表0-4的整数，Ar代表以下式的基团，或其盐，同时表现出5-HT1A激动活性和5-HT3拮抗活性，并且对治疗诸如肠易激综合征等疾病有用。本发明进一步提供了一种IBS治疗方法，其特征在于在体内同时和协同地发挥5-HT1A激动活性和5-HT3拮抗活性，包括给予同时表现出5-HT1A激动活性和5-HT3拮抗活性的5-HT3拮抗剂，或同时给予5-HT1A激动剂和5-HT3拮抗剂，按顺序或间隔给予。