1-(5-methylthiophen-3-yl)ethan-1-one | 69213-96-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(5-methylthiophen-3-yl)ethan-1-one
• 英文别名: 4-Acetyl-2-methylthiophene；3-acetyl-5-methylthiophene；1-(5-Methylthiophen-3-yl)ethanone
• CAS: 69213-96-3
• 化学式: C₇H₈OS
• 分子量: 140.206
• InChiKey: KGTCXUVNIBOXQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  45.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(5-methylthiophen-3-yl)ethan-1-one 在 四氧化锇 、 potassium tert-butylate 、 N-甲基吗啉氧化物 作用下， 以 四氢呋喃 、 水 、 丙酮 为溶剂， 生成 2-(5-Methylthiophen-3-yl)butane-2,3-diol
  参考文献：
  名称：

  Analogues of Acifran:  Agonists of the High and Low Affinity Niacin Receptors, GPR109a and GPR109b

  摘要：

  Recently identified GPCRs, GPR109a and GPR109b, the high and low affinity receptors for niacin, may represent good targets for the development of HDL elevating drugs for the treatment of atherosclerosis. Acifran, an agonist of both receptors, has been tested in human subjects, yet until recently very few analogs had been reported. We describe a series of acifran analogs prepared using newly developed synthetic pathways and evaluated as agonists for GPR109a and GPR109b, resulting in identification of compounds with improved activity at these receptors.

  DOI：

  10.1021/jm070022x
• 作为产物：
  描述：

  5-甲基噻吩-3-羧酸 在 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成 1-(5-methylthiophen-3-yl)ethan-1-one
  参考文献：
  名称：

  [EN] THIOPHENE GLP-1 RECEPTOR AGONIST AND USE THEREOF
  [FR] AGONISTE DU RÉCEPTEUR DE GLP-1 DE TYPE THIOPHÈNE ET SON UTILISATION
  [ZH] 噻吩类GLP-1受体激动剂及其用途

  摘要：

  提供了一系列噻吩类GLP-1受体激动剂化合物，其制备方及制药用途，所述的化合物（I）能用于制备治疗或预防GLP-1介导的疾病及相关疾病。

  公开号：

  WO2022199458A1

文献信息

• [EN] PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP<br/>[FR] DERIVES DE PYRROLOPYRIMIDINE ET DE PYRROLOPYRIDINE A SUBSTITUTION PAR UN GROUPE AMINO CYCLIQUE
  申请人：TAISHO PHARMA CO LTD

  公开号：WO2004058767A1

  公开（公告）日：2004-07-15

  An object of the present invention is to provide an antagonist against CRF receptors which is effective as a therapeutic or prophylactic agent for diseases in which CRF is considered to be involved, such as depression, anxiety, Alzheimer's disease, Parkinson's disease, Huntington's chorea, eating disorder, hypertension, gastric diseases, drug dependence, epilepsy, cerebral infarction, cerebral ischemia, cerebral edema, cephalic external wound, inflammation, immunity-related diseases, alopecia, irritable bowel syndrome, sleep disorders, epilepsy, dermatitides, schizophrenia, etc.[SOLUTION] A pyrrolopyrimidine or pyrrolopyridine derivative substituted with a cyclic amino group represented by the following formula [I]:has a high affinity for CRF receptors and is effective against diseases in which CRF is considered to be involved.

  本发明的一个目的是提供一种针对CRF受体的拮抗剂，该拮抗剂可作为治疗或预防剂用于CRF被认为参与的疾病，如抑郁症、焦虑症、阿尔茨海默病、帕金森病、亨廷顿舞蹈症、进食障碍、高血压、胃病、药物依赖、癫痫、脑梗塞、脑缺血、脑水肿、头部外伤、炎症、免疫相关疾病、脱发、肠易激综合征、睡眠障碍、皮肤炎、精神分裂症等疾病。[解决方案] 一种用下式[I]表示的含有环状氨基团的吡咯吡嘧啶或吡咯吡啶衍生物具有高亲和力对CRF受体，并对CRF被认为参与的疾病有效。
• [EN] PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH A CYCLIC AMINO GROUP AS CRF ANTAGONISTS<br/>[FR] DÉRIVÉS DE PYRROLOPYRIMIDINE ET DE PYRROLOPYRIDINE SUBSTITUÉS PAR UN GROUPE AMINO CYCLIQUE SERVANT D'ANTAGONISTES DU CRF
  申请人：TAISHO PHARMA CO LTD

  公开号：WO2006001511A1

  公开（公告）日：2006-01-05

  [PROBLEM TO BE SOLVED] An object of the present invention is to provide an antagonist against CRF receptors and/or an agonist for receptors which is effective as a therapeutic or prophylactic agent for diseases in which CRF is considered to be involved, such as depression, anxiety, Alzheimer's disease, Parkinson's disease, Huntington's chorea, eating disorder, hypertension, gastrointestinal diseases, drug dependence, cerebral infarction, cerebral ischemia, cerebral edema, cephalic external wound, inflammation, immunity-related diseases, alopecia, irritable bowel syndrome, sleep disorders, epilepsy, dermatitides, schizophrenia, pain, etc. [SOLUTION] A pyrrolopyrimidine or pyrrolopyridine derivative substituted with a cyclic amino group represented by the following formula [I] has a high affinity for CRF receptors and/or δ receptors, and is effective against diseases in which CRF is considered to be involved.

  本发明的目的是提供一种针对CRF受体的拮抗剂和/或对受体的激动剂，作为治疗或预防与CRF有关的疾病的有效药物，如抑郁症、焦虑症、阿尔茨海默病、帕金森病、亨廷顿舞蹈症、进食障碍、高血压、胃肠疾病、药物依赖、脑梗死、脑缺血、脑水肿、头部外伤、炎症、免疫相关疾病、脱发、肠易激综合征、睡眠障碍、癫痫、皮肤炎、精神分裂症、疼痛等疾病。具有以下式[I]所示的带有环状氨基团的吡咯吡嘧啶或吡咯吡啶衍生物对CRF受体和/或δ受体具有高亲和力，并对与CRF有关的疾病有效。
• [EN] PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH TETRAHYDROPYRIDINE AS CRF ANTAGONISTS<br/>[FR] DÉRIVÉS DE PYRROLOPYRIMIDINE ET DE PYRROLOPYRIDINE SUBSTITUÉS AVEC DE LA TÉTRAHYDROPYRIDINE COMME ANTAGONISTES DU CRF
  申请人：TAISHO PHARMA CO LTD

  公开号：WO2006001501A1

  公开（公告）日：2006-01-05

  [PROBLEM TO BE SOLVED] An object of the present invention is to provide an antagonist against CRF receptors which is effective as a therapeutic or prophylactic agent for diseases in which CRF is considered to be involved, such as depression, anxiety, Alzheimer's disease, Parkinson's disease, Huntington's chorea, eating disorder, hypertension, gastrointestinal diseases, drug dependence, cerebral infarction, cerebral ischemia, cerebral edema, cephalic external wound, inflammation, immunity-related diseases, alopecia, irritable bowel syndrome, sleep disorders, epilepsy, dermatitides, schizophrenia, pain, etc. [SOLUTION] A pyrrolopyrimidine or pyrrolopyridine derivative substituted with tetrahydropyridine represented by the following formula [I]: has a high affinity for CRF receptors and is effective against diseases in which CRF is considered to be involved.

  【需要解决的问题】本发明的目的是提供一种CRF受体拮抗剂，作为治疗或预防CRF参与的疾病的药物，如抑郁症、焦虑症、老年痴呆症、帕金森病、亨廷顿舞蹈症、进食障碍、高血压、胃肠疾病、药物依赖、脑梗死、脑缺血、脑水肿、头部外伤、炎症、免疫相关疾病、脱发、肠易激综合征、睡眠障碍、癫痫、皮肤炎、精神分裂症、疼痛等。 【解决方案】下式[I]所表示的以四氢吡啶取代的吡咯吡嘧啶或吡咯吡啶衍生物，具有高亲和力的CRF受体，并对CRF参与的疾病有效。
• Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group
  申请人：Nakazato Atsuro

  公开号：US20050209253A1

  公开（公告）日：2005-09-22

  An object of the present invention is to provide an antagonist against CRF receptors which is effective as a therapeutic or prophylactic agent for diseases in which CRF is considered to be involved, such as depression, anxiety, Alzheimer's disease, Parkinson's disease, Huntington's chorea, eating disorder, hypertension, gastric diseases, drug dependence, epilepsy, cerebral infarction, cerebral ischemia, cerebral edema, cephalic external wound, inflammation, immunity-related diseases, alopecia, irritable bowel syndrome, sleep disorders, epilepsy, dermatitides, schizophrenia, etc. [Solution] A pyrrolopyrimidine or pyrrolopyridine derivative substituted with a cyclic amino group represented by the following formula [I]: has a high affinity for CRF receptors and is effective against diseases in which CRF is considered to be involved.

  本发明的目的是提供一种针对CRF受体的拮抗剂，作为治疗或预防CRF参与的疾病的有效药物，例如抑郁症、焦虑症、阿尔茨海默病、帕金森病、亨廷顿舞蹈症、进食障碍、高血压、胃病、药物依赖、癫痫、脑梗塞、脑缺血、脑水肿、头部外伤、炎症、免疫相关疾病、脱发、肠易激综合症、睡眠障碍、皮肤炎、精神分裂症等。[解决方案] 一种以以下公式[I]表示的带有环状氨基基团的吡咯并嘧啶或吡咯并吡啶衍生物，具有与CRF受体的高亲和力，并对CRF参与的疾病有效。
• Azidomethylarylacetic acids and esters thereof
  申请人：Pfizer Inc.

  公开号：US04110342A1

  公开（公告）日：1978-08-29

  Azidomethylarylacetic acids and derivatives thereof are prepared by oxidative rearrangement of the corresponding azidomethylarylmethyl ketones effected by thallium (III) nitrate in the presence of methanol or ethanol and certain acids to obtain methyl or ethyl esters of the desired azidomethylarylacetate. When desired, the acids are obtained by hydrolysis of said esters. The azidomethylarylacetic acids are valuable intermediates in the preparation of aminomethylarylmethylpenicillins and aminomethylarylmethylcephalosporins.

  Azidomethylarylacetic酸及其衍生物是通过在甲醇或乙醇和某些酸的存在下，利用三价铊硝酸氧化重排相应的Azidomethylarylmethyl酮制备的，以获得所需的Azidomethylarylacetate的甲酯或乙酯。如有需要，可以通过水解上述酯来获得酸。Azidomethylarylacetic酸是制备氨甲基芳基甲基青霉素和氨甲基芳基甲基头孢菌素的有价值的中间体。