5-乙基-3-噻吩甲酰氯 | 95330-74-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 中文名称: 5-乙基-3-噻吩甲酰氯
• 中文别名: 5-乙基噻吩-3-甲酰氯
• 英文名称: 5-Ethylthiophene-3-carbonyl chloride
• CAS: 95330-74-8
• 化学式: C₇H₇ClOS
• mdl: MFCD12197870
• 分子量: 174.651
• InChiKey: GNEDFVAQXNGHSK-UHFFFAOYSA-N

物化性质

• 沸点：
  235.1±28.0 °C(Predicted)
• 密度：
  1.264±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.285
• 拓扑面积：
  45.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  5-乙基-3-噻吩甲酰氯 在 I2 、 氢溴酸 、 碳酸氢钠 作用下， 以 正己烷 、 乙腈 为溶剂， 生成 (R)-1-(2-(5-ethylthiophen-3-yl)-2-oxoethyl)-3-((R)-2-phenyl-2-(phenylamino)acetoxy)-1-azoniabicyclo[2.2.2]octane 2,2,2-trifluoroacetate
  参考文献：
  名称：

  ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF

  摘要：

  本发明涉及作为毒蕈碱受体拮抗剂的生物碱氨基酸酯化合物、它们的制备方法、包含它们的组合物及其治疗用途。

  公开号：

  US20110311458A1
• 作为产物：
  描述：

  5-乙基噻吩-3-羧酸 在 N,N-二甲基甲酰胺 草酰氯 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 5-乙基-3-噻吩甲酰氯
  参考文献：
  名称：

  Substituted bis-amide metalloprotease inhibitors

  摘要：

  这项发明涉及Formula (I)的取代双酰胺嘧啶化合物，这些化合物对于治疗金属蛋白酶介导的疾病，特别是MMP-13相关疾病是有用的。

  公开号：

  US20070155739A1

文献信息

• Multicyclic bis-amide MMP inhibitors
  申请人：Powers Timothy

  公开号：US20060173183A1

  公开（公告）日：2006-08-03

  The present invention relates generally to bis-amide group containing pharmaceutical agents, and in particular, to multicyclic bis-amide MMP-13 inhibitor compounds. More particularly, the present invention provides a new class of MMP-13 inhibiting compounds, containing a pyrimidinyl bis-amide group in combination with a heterocyclic moiety, that exhibit an increased potency and solubility in relation to currently known bis-amide group containing MMP-13 inhibitors.

  本发明总体涉及含有双酰胺基团的药物制剂，特别是多环双酰胺MMP-13抑制剂化合物。更具体地，本发明提供了一类新型的MMP-13抑制化合物，它们含有与杂环部分结合的嘧啶基双酰胺基团，与目前已知含双酰胺基团的MMP-13抑制剂相比，显示出增加的活性和溶解度。
• [EN] ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF<br/>[FR] DÉRIVÉS AMINOESTER D'ALCALOÏDES ET COMPOSITIONS MÉDICINALES LES COMPRENANT
  申请人：CHIESI FARMA SPA

  公开号：WO2011161018A1

  公开（公告）日：2011-12-29

  The present invention relates to alkaloid aminoester derivatives acting as muscarinic receptor antagonists, processes for their preparation, compositions comprising them and therapeutic uses thereof.

  本发明涉及作为毒蕈碱受体拮抗剂的生物碱氨基酸酯衍生物，其制备方法，包含它们的组合物以及它们的治疗用途。
• Aminoalkoxyphenyl indolone derivatives
  申请人：Konkel Michael

  公开号：US20060173180A1

  公开（公告）日：2006-08-03

  This invention is directed to aminoalkoxyphenyl indolone derivatives, which are ligands at the GAL 3 receptor. The invention provides a pharmaceutical composition comprising a therapeutically effective amount of a compound of the invention and a pharmaceutically acceptable carrier. This invention also provides a pharmaceutical composition made by admixing a therapeutically effective amount of a compound of the invention and a pharmaceutically acceptable carrier. This invention further provides a process for making a pharmaceutical composition comprising combining a therapeutically effective amount of a compound of the invention and a pharmaceutically acceptable carrier. This invention also provides a method of treating a subject suffering from depression and/or anxiety which comprises administering to the subject an amount of a compound of the subject invention.

  本发明涉及氨基烷氧基苯基吲哚酮衍生物，其是GAL3受体的配体。本发明提供了一种制药组合物，包括本发明化合物的治疗有效量和药学上可接受的载体。本发明还提供了一种通过混合本发明化合物的治疗有效量和药学上可接受的载体制成的制药组合物。本发明还提供了一种制备制药组合物的方法，包括将本发明化合物的治疗有效量和药学上可接受的载体结合。本发明还提供了一种治疗患有抑郁症和/或焦虑症的受试者的方法，包括向受试者施用本发明化合物的量。
• Alkaloid aminoester derivatives and medicinal compositions thereof
  申请人：Amari Gabriele

  公开号：US08492548B2

  公开（公告）日：2013-07-23

  The present invention relates to alkaloid aminoester compounds which act as muscarinic receptor antagonists, processes for their preparation, compositions comprising them, and therapeutic uses thereof.

  本发明涉及碱性氨基酯化合物，其作为毒蕈碱受体拮抗剂，制备它们的方法，包含它们的组合物以及它们的治疗用途。
• New pyrazolyl and thienyl aminohydantoins as potent BACE1 inhibitors: Exploring the S2′ region
  作者：Michael S. Malamas、Jim Erdei、Iwan Gunawan、Keith Barnes、Yu Hui、Matthew Johnson、Albert Robichaud、Ping Zhou、Yinfa Yan、William Solvibile、Jim Turner、Kristi Yi Fan、Rajiv Chopra、Jonathan Bard、Menelas N. Pangalos

  DOI：10.1016/j.bmcl.2011.07.057

  日期：2011.9

  The proteolytic enzyme beta-secretase (BACE1) plays a central role in the synthesis of the pathogenic beta-amyloid in Alzheimer's disease. SAR studies of the S2' region of the BACE1 ligand binding pocket with pyrazolyl and thienyl P2' side chains are reported. These analogs exhibit low nanomolar potency for BACE1, and demonstrate >50-to 100-fold selectivity for the structurally related aspartyl proteases BACE2 and cathepsin D. Small groups attached at the nitrogen of the P2' pyrazolyl moiety, together with the P3 pyrimidine nucleus projecting into the S3 region of the binding pocket, are critical components to ligand's potency and selectivity. P2' thiophene side chain analogs are highly potent BACE1 inhibitors with excellent selectivity against cathepsin D, but only modest selectivity against BACE2. The cell-based activity of these new analogs tracked well with their increased molecular binding with EC50 values of 0.07-0.2 mu M in the ELISA assay for the most potent analogs. (C) 2011 Elsevier Ltd. All rights reserved.