2-乙炔噻唑 | 111600-85-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2-乙炔噻唑
• 英文名称: 2-ethynylthiazole
• 英文别名: 2-ethynyl-1,3-thiazole
• CAS: 111600-85-2
• 化学式: C₅H₃NS
• mdl: MFCD13189814
• 分子量: 109.152
• InChiKey: CDFUVXUAFYQGMT-UHFFFAOYSA-N

物化性质

• 沸点：
  183.6±23.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  7
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  41.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-乙炔噻唑 在 (Ph₃P₀₂PdCl₂ copper(l) iodide 、 三乙胺 、 三氟乙酸 作用下， 以 乙腈 为溶剂， 生成 2-(2-thiazolyl)ethynyl-5'-N-ethylcarboxamidoadenosine
  参考文献：
  名称：

  Potent and Selective Ligands for Adenosine Binding Sites

  摘要：

  A number of selective ligands for the different binding sites of adenosine have been synthesized and tested in several pharmacological models. The aim of these synthetic efforts is both to improve the knowledge of structure-activity relationships in the adenosine-related biological systems and to develop drugs from some of these molecules.

  DOI：

  10.1080/07328319708006189
• 作为产物：
  描述：

  2-methyl-4-(1,3-thiazol-2-yl)butyn-2-ol 在 sodium hydroxide 作用下， 以 苯 为溶剂， 反应 2.0h， 以70%的产率得到2-乙炔噻唑
  参考文献：
  名称：

  Synthesis and anti-inflammatory activity of ethynylthiazoles

  摘要：

  DOI：

  10.1007/s10593-006-0145-8

文献信息

• [EN] HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES ET LEUR UTILISATION DANS LA PRÉVENTION OU LE TRAITEMENT D'INFECTIONS BACTÉRIENNES
  申请人：MUTABILIS

  公开号：WO2018060481A1

  公开（公告）日：2018-04-05

  The invention relates to a compound of formula (I) and a racemate, an enantiomer, a diastereoisomer, a geometric isomer or a pharmaceutically acceptable salt thereof, and its use as antibacterial agent.

  这项发明涉及一种式(I)的化合物及其外消旋体、对映体、二对映异构体、几何异构体或药学上可接受的盐，并且其作为抗菌剂的用途。
• Biarylimidazoles as inhibitors of microsomal prostaglandin E2 synthase-1
  作者：Tom Y.H. Wu、Hélène Juteau、Yves Ducharme、Richard W. Friesen、Sébastien Guiral、Lynn Dufresne、Hugo Poirier、Myriam Salem、Denis Riendeau、Joseph Mancini、Christine Brideau

  DOI：10.1016/j.bmcl.2010.09.129

  日期：2010.12

  Microsomal prostaglandin E2 synthase (mPGES-1) represents a potential target for novel analgesic and anti-inflammatory agents. High-throughput screening identified several leads of mPGES-1 inhibitors which were further optimized for potency and selectivity. A series of inhibitors bearing a biaryl imidazole scaffold exhibits excellent inhibition of PGE2 production in enzymatic and cell-based assays

  微粒体前列腺素E 2合酶（mPGES-1）代表了新型镇痛药和抗炎药的潜在靶标。高通量筛选确定了mPGES-1抑制剂的几条线索，并对其效力和选择性进行了进一步优化。一系列带有联芳基咪唑支架的抑制剂在酶法和基于细胞的测定法中均表现出对PGE 2产生的优异抑制作用。将讨论这些分子的合成及其活性。
• [EN] (DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES<br/>[FR] (DIHYDRO)PYRROLO[2,1-?]ISOQUINOLINES
  申请人：ORGANON NV

  公开号：WO2009098283A1

  公开（公告）日：2009-08-13

  The invention relates to 5,6 - dihydropyrrolo [2,1-a] isoquinoline and pyrrolo[2,1-a] isoquinoline derivatives according to general formula (I) or a pharmaceutically acceptable salt thereof. The compounds can be used for the treatment of infertility.

  这项发明涉及根据通式（I）制备的5,6-二氢吡咯并[2,1-a]异喹啉和吡咯并[2,1-a]异喹啉衍生物，或其药学上可接受的盐。这些化合物可用于治疗不孕症。
• NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A
  申请人：ABBVIE INC.

  公开号：US20140148461A1

  公开（公告）日：2014-05-29

  The present invention relates to compounds of the formula I and their salts etc. which are inhibitors of phosphodiesterase type 10A and to their use for the manufacture of a medicament and which thus are suitable for treating or controlling of medical disorders selected from neurological disorders and psychiatric disorders, for ameliorating the symptoms associated with such disorders and for reducing the risk of such disorders. wherein Y 1 and Y 2 are adjacent atoms in Het 1 , which are independently selected from the group consisting of carbon and nitrogen; k is 0, 1, 2 or 3; Het 1 is a bivalent monocyclic 5- or 6-membered heteroaromatic radical, having 1, 2 or 3 heteroatoms or heteroatom moieties selected from O, S, N and N—R a as ring members, or a bivalent fused bicyclic 8-, 9- or 10-membered heteroaromatic radical, having 1, 2, 3 or 4 heteroatoms or heteroatom moieties selected from O, S, N and N—R a as ring members; Het 2 is inter alia monocyclic 5- or 6-membered hetaryl, having 1, 2 or 3 heteroatoms or heteroatom moieties selected from O, S, N and N—R 1a as ring members, Cyc is inter alia optionally substituted monocyclic 5- or 6-membered hetaryl or optionally substituted fused 8-, 9- or 10-membered bicyclic hetaryl; Ar is optionally substituted phenylene or optionally substituted bivalent 6-membered hetaryl; R is attached to a carbon atom of Het 1 and inter alia-halogen, C 1 -C 6 -alkyl, C 2 -C 6 -alkenyl, C 2 -C 6 -alkynyl, C 1 -C 6 -alkoxy, C 1 -C 6 -fluoroalkyl, C 1 -C 6 -fluoroalkoxy, C 3 -C 6 -cycloalkyl etc.

  该发明涉及公式I的化合物及其盐等，这些化合物是磷酸二酯酶10A的抑制剂，用于制造药物，并因此适用于治疗或控制神经疾病和精神疾病等医学疾病，改善与这些疾病相关的症状，并降低这些疾病的风险。 其中Y1和Y2是Het1中相邻的原子，独立地选自由碳和氮组成的群；k为0、1、2或3；Het1是双价的单环5-或6-成员杂芳基，具有1、2或3个杂原子或杂原子基，选自O、S、N和N—Ra作为环成员，或者是双价的融合的8、9或10-成员杂芳基，具有1、2、3或4个杂原子或杂原子基，选自O、S、N和N—Ra作为环成员；Het2是单环5-或6-成员杂芳基，具有1、2或3个杂原子或杂原子基，选自O、S、N和N—R1a作为环成员，Cyc是可选取代的单环5-或6-成员杂芳基或可选取代的融合的8、9或10-成员双环杂芳基；Ar是可选取代的苯基或可选取代的双价6-成员杂芳基；R连接到Het1的碳原子上，包括卤素、C1-C6-烷基、C2-C6-烯基、C2-C6-炔基、C1-C6-烷氧基、C1-C6-氟烷基、C1-C6-氟烷氧基、C3-C6-环烷基等。
• Design and characterization of a heterocyclic electrophilic fragment library for the discovery of cysteine-targeted covalent inhibitors
  作者：A. Keeley、P. Ábrányi-Balogh、G. M. Keserű

  DOI：10.1039/c8md00327k

  日期：——

  A fragment library of electrophilic small heterocycles was characterized through cysteine-reactivity and aqueous stability tests that suggested their potential as covalent warheads.

  通过半胱氨酸反应性和水稳定性测试，对亲电性小杂环片段库进行了表征，结果表明它们有潜力作为共价战斗头。