2-CHLORO-1-(5-氯-3-甲基苯并[B]噻吩-2-基)乙醛-1-酮 | 156801-47-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 中文名称: 2-CHLORO-1-(5-氯-3-甲基苯并[B]噻吩-2-基)乙醛-1-酮
• 英文名称: 2-Chloro-1-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethanone
• CAS: 156801-47-7
• 化学式: C₁₁H₈Cl₂OS
• mdl: MFCD00052305
• 分子量: 259.2
• InChiKey: MSOJRYIWMSFMDD-UHFFFAOYSA-N

物化性质

• 熔点：
  156-160°C

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.181
• 拓扑面积：
  45.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  C
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R34

反应信息

• 作为反应物：
  描述：

  L-proline L-isoleucine benzylamide 、 disodium;carbonate 、 2-CHLORO-1-(5-氯-3-甲基苯并[B]噻吩-2-基)乙醛-1-酮 以 乙腈 为溶剂， 以provided 170 mg (50%) of L-isoleucine, N-[1-(2-(5-chloro-3-methyl-benzo[B]thiophene-2-yl)-2-oxoethyl)-L-prolyl] benzylamide as a pale yellow oil的产率得到L-isoleucine, N-[1-(2-(5-chloro-3-methyl-benzo[B]thiophene-2-yl)-2-oxoethyl)-L-prolyl] benzylamide
  参考文献：
  名称：

  2-oxoethyl derivatives as immunosuppressants

  摘要：

  本发明揭示了一类抑制人类T淋巴细胞增殖的化合物。活性化合物基本上包含至少以下结构：##STR1##

  公开号：

  US05686424A1

文献信息

• Thiazole and other heterocyclic ligands for mammalian dopamine, muscarinic and serotonin receptors and transporters, and methods of use thereof
  申请人：——

  公开号：US20030105071A1

  公开（公告）日：2003-06-05

  One aspect of the present invention relates to novel heterocyclic compounds. A second aspect of the present invention relates to the use of the novel heterocyclic compounds as ligands for various mammalian cellular receptors, including G-protein coupled receptors. A third aspect of the present invention relates to the use of the novel heterocyclic compounds as ligands for mammalian dopamine, muscarinic or serotonin receptors or transporters. Another aspect of the present invention relates to the use of the novel heterocyclic compounds as ligands for mammalian dopamine, muscarinic or serotonin receptors. The compounds of the present invention will also find use in the treatment of numerous ailments, conditions and diseases which afflict mammals, including but not limited to addiction, anxiety, depression, sexual dysfunction, hypertension, migraine, Alzheimer's disease, obesity, emesis, psychosis, analgesia, schizophrenia, Parkinson's disease, restless leg syndrome, sleeping disorders, attention deficit hyperactivity disorder, irritable bowel syndrome, premature ejaculation, menstrual dysphoria syndrome, urinary incontinence, inflammatory pain, neuropathic pain, Lesche-Nyhane disease, Wilson's disease, Tourette's syndrome, psychiatric disorders, stroke, senile dementia, peptic ulcers, pulmonary obstruction disorders, and asthma.

  本发明的一个方面涉及新颖的杂环化合物。本发明的第二个方面涉及将这些新颖的杂环化合物用作各种哺乳动物细胞受体的配体，包括G蛋白偶联受体。本发明的第三个方面涉及将这些新颖的杂环化合物用作哺乳动物多巴胺、肌肉或血清素受体或转运体的配体。本发明的另一个方面涉及将这些新颖的杂环化合物用作哺乳动物多巴胺、肌肉或血清素受体的配体。本发明的化合物还将用于治疗许多困扰哺乳动物的疾病、症状和疾病，包括但不限于成瘾、焦虑、抑郁、性功能障碍、高血压、偏头痛、阿尔茨海默病、肥胖、呕吐、精神病、镇痛、精神分裂症、帕金森病、不宁腿综合征、睡眠障碍、注意力缺陷多动障碍、肠易激综合征、早泄、月经痛综合征、尿失禁、炎症性疼痛、神经痛、Lesche-Nyhane病、威尔逊病、抽动症、精神障碍、中风、老年性痴呆、消化性溃疡、肺阻塞疾病和哮喘。
• 2-Oxoethyl derivatives as immunosuppressants
  申请人：Bayer Corporation

  公开号：EP0564924A2

  公开（公告）日：1993-10-13

  A class of compounds which suppress human T-lymphocyte proliferation is disclosed. The active compounds essentially contain at least the following structure:

  本研究公开了一类可抑制人类 T 淋巴细胞增殖的化合物。这些活性化合物基本上至少包含以下结构：
• US6699866B2
  申请人：——

  公开号：US6699866B2

  公开（公告）日：2004-03-02
• US7087623B2
  申请人：——

  公开号：US7087623B2

  公开（公告）日：2006-08-08
• [EN] THIAZOLE AND OTHER HETEROCYCLIC LIGANDS FOR MAMMALIAN DOPAMINE, MUSCARINIC AND SEROTONIN RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF<br/>[FR] THIAZOLE ET AUTRES LIGANDS HETEROCYCLIQUES POUR RECEPTEURS ET TRANSPORTEURS MAMMALIENS DE SEROTONINE, DE DOPAMINE ET DE LA MUSCARINE, ET METHODES D'UTILISATION CORRESPONDANTES
  申请人：SEPRACOR INC

  公开号：WO2002083863A2

  公开（公告）日：2002-10-24

  One aspect of the present invention relates to novel heterocyclic compounds. A second aspect of the present invention relates to the use of the novel heterocyclic compounds as ligands for various mammalian cellular receptors, including G-protein coupled receptors. A third aspect of the present invention relates to the use of the novel heterocyclic compounds as ligands for mammalian dopanime, muscarinic or serotonin receptors or transporters. Another aspect of the present invention relates to the use of the novel heterocyclic compounds as ligands for mammalian dopamine, muscarinic or serotonin receptors. The compounds of the present invention will also find use in the treatment of numerous ailments, conditions and diseases which afflict mammals, including but not limited to addiction, anxiety, depression, sexual dysfunction, hypertension, migraine, Alzheimer's disease, obesity, emesis, psychosis, analgesia, schizophrenia, Parkinson's disease, restless leg syndrome, sleeping disorders, attention deficit hyperactivity disorder, irritable bowel syndrome, premature ejaculation, menstrual dysphoria syndrome, urinary incontinence, inflammatory pain, neuropathic pain, Lesche-Nyhane disease, Wilson's disease, Tourette's syndrome, psychiatric disorders, stroke, senile dementia, peptic ulcers, pulmonary obstruction disorders, and asthma.