1-(2-氨基-3-噻吩)乙酮 | 892127-08-1

• 物质功能分类: 医药中间体 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(2-氨基-3-噻吩)乙酮
• 中文别名: 1-(2-氨基-噻吩-3-基)乙酮
• 英文名称: 1-(2-amino-3-thienyl)ethanone
• 英文别名: 1-(2-Aminothiophen-3-yl)ethanone
• CAS: 892127-08-1
• 化学式: C₆H₇NOS
• mdl: MFCD16657014
• 分子量: 141.194
• InChiKey: MCARDMQPIMTVKC-UHFFFAOYSA-N

物化性质

• 沸点：
  148 °C(Press: 5 Torr)
• 密度：
  1.252±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  71.3
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090
• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  1-(2-氨基-3-噻吩)乙酮 在 哌啶 、 水合氯化铈 作用下， 以 甲醇 、 5,5-dimethyl-1,3-cyclohexadiene 为溶剂， 反应 4.5h， 生成 (E)-4-methyl-5-(4-phenylbut-2-enoyl)thieno[2,3-b]pyridin-6(7H)-one
  参考文献：
  名称：

  [EN] NOVEL BICYCLIC COMPOUNDS AS RAD51 INHIBITORS
  [FR] NOUVEAUX COMPOSÉS BICYCLIQUES EN TANT QU'INHIBITEURS DE RAD51

  摘要：

  The present invention relates to novel bicyclic compounds of formula (I) as inhibitors of RAD51 inhibitors, their pharmaceutically acceptable salts, solvates, polymorphs, tautomers, optical and geometric isomers thereof.

  公开号：

  WO2023161782A1
• 作为产物：
  描述：

  1,4-二硫-2,5-二醇 、 氰基丙酮 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以65%的产率得到1-(2-氨基-3-噻吩)乙酮
  参考文献：
  名称：

  First Synthesis of 3-Acetyl-2-aminothiophenes Using the Gewald Reaction

  摘要：

  利用改良的格瓦尔德反应，从氰基丙酮和 1,4-二噻烷-2,5-二醇制备了新型 3-乙酰基-2-氨基噻吩。报告了相应的乙酰胺以及 3-乙酰基-2-氨基-5-硝基噻吩（噻吩偶氮染料的一种有趣的构建基块）的合成。报告还介绍了所获化合物的详细光谱研究（1H-NMR、13C-NMR、MS、IR）。

  DOI：

  10.3390/11050371

文献信息

• THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS
  申请人：Herdewijn Piet

  公开号：US20120046278A1

  公开（公告）日：2012-02-23

  The present invention relates to compound of formula I, II, III, or IV, and/or a pharmaceutical acceptable addition salt thereof and/or a stereoisomer thereof and/or a solvate thereof, wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 11 , and R 12 are as defined in the claim 1. The present invention also relates to a method for their preparation, as well as to pharmaceutical compositions thereof. The present invention further relates to the use of said compounds as biologically active ingredients, more specifically as medicaments for the treatment of disorders and pathologic conditions such as, but not limited to, immune and auto-immune disorders, organ and cells transplant rejections.

  本发明涉及式I、II、III或IV的化合物，及/或其药用可接受的加合盐和/或其立体异构体和/或其溶剂化合物，其中R1、R2、R3、R4、R5、R6、R7、R8、R9、R11和R12如权利要求1所定义。本发明还涉及它们的制备方法，以及其药物组合物。本发明进一步涉及所述化合物作为生物活性成分的用途，更具体地作为治疗疾病和病理状况的药物，例如但不限于免疫和自身免疫性疾病、器官和细胞移植排斥反应。
• Novel herbicides, usage thereof, novel thienopyrimidine derivatives, intermediates of the same, and process for production thereof
  申请人：Ota Chikako

  公开号：US20070010402A1

  公开（公告）日：2007-01-11

  A herbicide comprising, as an active ingredient, a substituted thienopyrimidine derivative represented by the formula (I): wherein all symbols are defined in the description, a method of using the same, a novel compound useful as the herbicide and a process for producing the same, and an intermediate thereof.

  一种除草剂，其活性成分为由式(I)表示的取代噻唑嘧啶衍生物，其中所有符号在说明中定义，使用该除草剂的方法，作为除草剂有用的新化合物及其生产方法，以及其中间体。
• Thiazolopyrimidine Modulators as Immunosuppressive Agents
  申请人：Herdewijn Piet

  公开号：US20150038494A1

  公开（公告）日：2015-02-05

  The present invention relates to compound of formula I, II, III, or IV, and/or a pharmaceutical acceptable addition salt thereof and/or a stereoisomer thereof and/or a solvate thereof, wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 11 , and R 12 are as defined in the claim 1 . The present invention also relates to a method for their preparation, as well as to pharmaceutical compositions thereof. The present invention further relates to the use of said compounds as biologically active ingredients, more specifically as medicaments for the treatment of disorders and pathologic conditions such as, but not limited to, immune and auto-immune disorders, organ and cells transplant rejections.

  本发明涉及公式I，II，III或IV的化合物，以及/或其药学上可接受的加成盐和/或其立体异构体和/或其溶剂化物，其中R1，R2，R3，R4，R5，R6，R7，R8，R9，R11和R12如权利要求1所定义。本发明还涉及它们的制备方法，以及其药物组合物。本发明还涉及所述化合物作为生物活性成分的用途，更具体地作为治疗疾病和病理状态的药物，例如，但不限于，免疫和自身免疫性疾病，器官和细胞移植排斥。
• Aromatic disazo compound
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0280434A2

  公开（公告）日：1988-08-31

  An azo compound of the formula:     A - N = N - B - N = N - D wherein:     A is (i) a phenyl group containing at least two unsaturated electron-withdrawing groups in ortho or para positions with respect to the azo link, (ii) an aromatic heterocycle, or (iii) the residue of an aromatic coupling component having a group displaceable by a diazotised aromatic amine;     B is an substituted or unsubstituted thien-2,5-ylene or thiazol-2,5-ylene group; and     D is the residue of an aromatic coupling component having a group displaceable by a diazotised aromatic amine. The azo compound has a significant absorption band extending into the near infra-red region of the spectrum and has utility in applications, such as solar screening, electronic, optical character recognition, printing, reprographic and security systems, where enhanced infra-red absorption is necessary or desirable.

  式中的偶氮化合物： A - N = N - B - N = N - D 其中 A 是：(i) 相对于偶氮链节在正交或对交位置上含有至少两个不饱和抽电子基团的苯基，(ii) 芳族杂环，或(iii) 具有可被重氮化芳族胺置换的基团的芳族偶联组分的残基； B 是取代或未取代的噻吩-2,5-亚烯或噻唑-2,5-亚烯基团；以及 D 是具有可被重氮化芳香胺置换的基团的芳香偶联组分的残基。 偶氮化合物具有延伸至光谱近红外区域的显著吸收带，可用于需要或希望增强红外吸收的应用领域，如太阳能筛选、电子、光学字符识别、印刷、复印和安全系统。
• COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME
  申请人：KIRIN BEER KABUSHIKI KAISHA

  公开号：EP1724268A1

  公开（公告）日：2006-11-22

  The present invention provides compounds of formula (I) or compounds of formula (II) and pharmaceutically acceptable salts or solvates thereof. An objective of the present invention is to provide compounds having TGFβ inhibitory activity.

  本发明提供了式(I)化合物或式(II)化合物及其药学上可接受的盐或溶液。本发明的目的是提供具有 TGFβ 抑制活性的化合物。