噻唑-2-乙胺 | 13472-75-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 噻唑-2-乙胺
• 中文别名: 噻唑-2-乙酰胺
• 英文名称: 2-(ethylamino)thiazole
• 英文别名: Ethyl-thiazol-2-YL-amine；N-ethyl-1,3-thiazol-2-amine
• CAS: 13472-75-8
• 化学式: C₅H₈N₂S
• mdl: MFCD09997916
• 分子量: 128.198
• InChiKey: LUWSZVRMLJKYML-UHFFFAOYSA-N

物化性质

• 熔点：
  52.5-53.5 °C
• 沸点：
  191.4±23.0 °C(Predicted)
• 密度：
  1.185±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  53.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2934100090
• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P261,P264,P270,P271,P280,P302+P352,P304+P340,P305+P351+P338,P310,P330,P332+P313,P362,P403+P233,P405,P501
• 危险品运输编号：
  3259
• 危险性描述：
  H302,H312,H315,H318,H332,H335
• 储存条件：
  应存于阴凉避光处，并在惰性气体保护下保存。

反应信息

• 作为反应物：
  描述：

  噻唑-2-乙胺 以 四氢呋喃 为溶剂， 反应 33.05h， 生成 N,N-diethylN'-(2-thiazolyl)-N'-ethylmalonamide
  参考文献：
  名称：

  Mbagwu, Godwin O.; Bass, R. Gerald; Glennon, Richard A., Journal of Heterocyclic Chemistry, 1985, vol. 22, p. 465 - 474

  摘要：

  DOI：
• 作为产物：
  描述：

  Eth-(E)-ylidene-thiazol-2-yl-amine 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 生成 噻唑-2-乙胺
  参考文献：
  名称：

  Heteroaryl substituted bis-trifluoromethyl carbinols as malonyl-CoA decarboxylase inhibitors

  摘要：

  A series of heteroaryl-substituted bis-trifluoromethyl carbinols were prepared and evaluated as malonyl-CoA decarboxylase (MCD) inhibitors. Some thiazole-based derivatives showed potent in vitro MCD inhibitory activities and significantly increased glucose oxidation rates in isolated working rat hearts. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.03.100

文献信息

• Polycyclic dyes
  申请人：ZENECA LIMITED

  公开号：EP0574118A1

  公开（公告）日：1993-12-15

  A benzodifuranone dye carrying at least one thiazolyl group, the dye may be of Formula (3) or Formula (5): in which Ris -H or alkyl; Xis -H, alkyl or alkylcarbonyl; Ais a phenyl group which is unsubstituted by from one to three substituents or Ais a group of Formula (4): wherein: R¹is -H or alkyl; and X¹is -H, alkyl or alkylcarbonyl. The benzodifuranone dyes are useful for the coloration of synthetic textile material such as polyester.

  一种携带至少一个噻唑基团的苯二呋喃酮染料，该染料可以是化学式（3）或化学式（5）中的一种： 其中 R是-H或烷基； X是-H，烷基或烷基羰基； A是未被从一个到三个取代基取代的苯基团或 A是化学式（4）的基团： 其中： R¹是-H或烷基；和 X¹是-H，烷基或烷基羰基。 苯二呋喃酮染料对合成纺织材料如涤纶的着色是有用的。
• A preliminary investigation of Mesoionic Xanthine analogues as inhibitors of platelet aggregation
  作者：Mark Hellberg、James F. Stubbins、Richard A. Glennon

  DOI：10.1016/s0968-0896(00)00123-1

  日期：2000.8

  A series of mesoionic xanthines (e.g. mesoionic thiazolopyrimidines, 3, and thiadiazolopyrimidines, 5) and related analogues were examined as inhibitors of human platelet aggregation. Appropriately substituted compounds were found to fully inhibit platelet aggregation, and anhydro-(6-ethyl-8-isopentyl-7-oxo-5-hydroxy-1,3,4-thiadiazolo[3,2 -a]pyrimidinium hydroxide) (5b) was 40 times more potent than

  研究了一系列中离子黄嘌呤（例如，中离子噻唑并嘧啶3，和噻二唑并嘧啶5）和相关类似物作为人类血小板聚集的抑制剂。发现适当取代的化合物可完全抑制血小板凝集，并形成脱水-（6-乙基-8-异戊基-7-氧代-5-羟基-1,3,4-噻二唑[3,2-a]氢氧化嘧啶鎓）（5b ）的效力是与结构相关的黄嘌呤茶碱（1）的4​​0倍。凝胶过滤研究表明，化合物5b不可逆地抑制聚集，这可能是由于其充当潜在的酰化剂的能力。
• Mesoionic purinone analogs as inhibitors of cyclic-AMP phosphodiesterase: comparison of several ring systems
  作者：Michael E. Rogers、Richard A. Glennon、J. Doyle Smith、Marvin R. Boots、Nitin Nanavati、Julie E. Maconaughey、Debbie Aub、Sheree Thomas、R. G. Bass、Godwin Mbagwu

  DOI：10.1021/jm00143a004

  日期：1981.11

  hydrophobic substituent at the N8 position. The five-membered ring of 1 can be replaced by a pyridine or isoquinoline nucleus without untoward effects. Preliminary kinetic data suggest that the type of enzyme inhibition produced by the mesoionic derivatives is similar to that observed for theophylline. Thus, several novel mesoionic ring systems display activity as inhibitors of cyclic-AMP PDE and can serve

  发现介电的噻唑并嘧啶（1）和介电的1,3,4-噻二唑并嘧啶（2）的几种简单的烷基和芳烷基衍生物具有类似茶碱的活性，可作为环AMP磷酸二酯酶（PDE）的抑制剂。1的C 2 -C 3双键的还原或用N-甲基取代1或2的硫原子几乎消除了活性。最佳活性似乎与N8位的疏水取代基有关。1的五元环可以被吡啶或异喹啉核取代，而不会产生不利影响。初步的动力学数据表明，由中离子衍生物产生的酶抑制作用类型与茶碱类似。从而，
• Mesoionic purinone analogs. III. The synthesis and properties of mesoionic thiazolo[3,2-<i>a</i>] pyrimidine-5,7-diones
  作者：R. A. Coburn、R. A. Glennon

  DOI：10.1002/jhet.5570100412

  日期：1973.8

  A number of mesoionic thiazolo[3,2-a ]pyrimidine-5,7-diones, isoconjugate mesoionic analogs of xanthinc, were prepared by the condensation of 2-alkylaminothiazoles with bis(2,4,6-trichloro-phenyl)malonate esters. The ground state molecular properties and reactions of these compounds were found to be consistent with predictions based upon previous SCF molecular orbital treatments of the π-systems of

  通过将2-烷基氨基噻唑与双（2,4,6-三氯-苯基）丙二酸酯缩合制备许多介电的噻唑并[3,2 - a ]嘧啶-5,7-二酮，x吨的同共轭介电类似物。 。发现这些化合物的基态分子性质和反应与基于这些类似物的π系统的先前SCF分子轨道处理的预测一致。
• Opthalmic compositions for treating ocular hypertension
  申请人：Chen Meng Hsin

  公开号：US20060148805A1

  公开（公告）日：2006-07-06

  This invention relates to the use of potent potassium channel blockers or a formulation thereof in the treatment of glaucoma and other conditions which leads to elevated intraoccular pressure in the eye of a patient. This invention also relates to the use of such compounds to provide a neuroprotective effect to the eye of mammalian species, particularly humans.

  本发明涉及在治疗青光眼和其他导致患者眼内压升高的情况中使用强效钾通道阻滞剂或其配方。本发明还涉及使用这些化合物为哺乳动物，特别是人类的眼提供神经保护效应。