2-Allylaminothiazole | 35098-40-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-Allylaminothiazole
• 英文别名: N-2-Propen-1-yl-2-thiazolamine；N-prop-2-enyl-1,3-thiazol-2-amine
• CAS: 35098-40-9
• 化学式: C₆H₈N₂S
• mdl: MFCD09971815
• 分子量: 140.209
• InChiKey: VTJKGAGBSURPEE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  53.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-吡啶甲酸 、 2-Allylaminothiazole 在 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 Pyridine-2-carboxylic acid allyl-thiazol-2-yl-amide
  参考文献：
  名称：

  Inhibitors of type I MetAPs containing pyridine-2-carboxylic acid thiazol-2-ylamide. Part 1: SAR studies on the determination of the key scaffold

  摘要：

  Systematic SAR studies on the HTS hit pyridine-2-carboxylic acid thiazol-2-ylamide (PACT) analogues revealed that the scaffold of OCAT is indispensable for the inhibition of type I MetAP. For effective inhibition of the enzyme, the most suitable position to modify is the 3-position of the pyridine ring of PCAT, and the best substituents are those containing O or N atoms connected directly with the pyridine ring. These findings provide useful information for the design and discovery of more potent inhibitors of type I MetAPs. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.034
• 作为产物：
  描述：

  2-氨基噻唑 、 一氧化碳 、 3-溴丙烯 在 palladium diacetate 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 110.0 ℃ 、2.07 MPa 条件下， 反应 12.0h， 生成 N-(1,3-thiazol-2-yl)but-3-enamide 、 2-Allylaminothiazole
  参考文献：
  名称：

  One-pot amide synthesis from allyl or benzyl halides and amines by Pd-catalysed carbonylation

  摘要：

  Amides can be prepared from allyl or benzyl halides and primary or secondary amines, using Pd(O) catalyst under CO pressure, in a one-pot synthesis. The reaction proceeds through the acyl palladium halide formation which undergoes an acylic nucleophilic substitution from the amine. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.11.023

文献信息

• Methods of using heterocycle-amine ligands, compositions, complexes, and catalysts
  申请人：Diamond M. Gary

  公开号：US20060094839A1

  公开（公告）日：2006-05-04

  Ligands, compositions, and metal-ligand complexes that incorporate heterocycle-amine compounds are disclosed that are useful in the catalysis of transformations such as the polymerization of monomers into polymers. The catalysts have high performance characteristics, including higher comonomer incorporation into ethylene/olefin copolymers, where such olefins are for example, 1-octene, propylene or styrene. The catalysts also polymerize propylene to form isotactic polypropylene.

  揭示了包含杂环胺化合物的配体、组合物和金属配体络合物，这些化合物在催化转化中非常有用，例如将单体聚合成聚合物。这些催化剂具有高性能特征，包括将共聚单体更多地并入乙烯/烯烃共聚物中，其中这些烯烃例如为1-辛烯、丙烯或苯乙烯。这些催化剂还可以聚合丙烯形成同向聚丙烯。
• [EN] TRIAZOLOPYRIDINE COMPOUNDS USEFUL AS KINASE INHIBITORS<br/>[FR] COMPOSÉS DE TRIAZOLOPYRIDINE UTILISÉS COMME INHIBITEURS DE KINASE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2009155389A1

  公开（公告）日：2009-12-23

  A compound of Formula (I) and enantiomers, diastereomers and pharmaceutically-acceptable salts thereof. Also disclosed are pharmaceutical compositions containing compounds of Formula (I), and methods of treating conditions associated with the activity of p38 kinase.

  一种由式（I）的化合物及其对映体、二对映体和药用可接受的盐组成的混合物。还公开了含有式（I）化合物的药物组合物，以及治疗与p38激酶活性相关疾病的方法。
• COMBINATIONS OF ALKYLAMIDOTHIAZOLES AND PRESERVATIVES
  申请人：BEIERSDORF AG

  公开号：US20160015615A1

  公开（公告）日：2016-01-21

  Disclosed are active ingredient combinations of alkylamidothiazoles and one or more cosmetically or dermatologically acceptable preservatives.

  揭示了烷基氨基噻唑和一种或多种在化妆品或皮肤科学上可接受的防腐剂的活性成分组合。
• COMPOSITIONS OF ALKYLAMIDOTHIAZOLES AND FRAGRANCES
  申请人：BEIERSDORF AG

  公开号：US20160015613A1

  公开（公告）日：2016-01-21

  Disclosed are active ingredient combinations of alkylamidothiazoles and one or more cosmetically or dermatologically relevant fragrances.

  揭示了烷基酰胺噻唑酮和一种或多种在化妆品或皮肤科学方面相关的香料的活性成分组合。
• ALKYLAMIDOTHIAZOLES, COSMETIC OR DERMATOLOGICAL PREPARATIONS CONTAINING SAID ALKYLAMIDOTHIAZOLES, AND USE THEREOF TO COMBAT OR PREVENT UNDESIRED PIGMENTATION OF THE SKIN
  申请人：BEIERSDORF AG

  公开号：US20140121250A1

  公开（公告）日：2014-05-01

  Alkylamidothiazoles of general formula (I), wherein R 1=—C1-C24 alkyl (linear and branched), —C1-C24 alkenyl (linear and branched), —C1-C8 cycloalkyl, —C1-C8 cycloalkyl-alkylhydroxy, —C1-C24 alkylhydroxy (linear and branched), —C1-C24 alkylamine (linear and branched), —C1-C24 alkylaryl (linear and branched), —C1-C24 alkylaryl-alkyl-hydroxy (linear and branched), —C1-C24 alkyl-heteroaryl (linear and branched), —C1-C24-alkyl-O—C1-C24-alkyl (linear and branched), —C1-C24 alkyl morpholino, —C1-C24 alkyl piperidino, —C1-C24 alkyl piperazino, —C1-C24 alkyl-piperazino-N-alkyl, as well as cosmetic or dermatological preparations having an effective content of one or more alkylamidothiazoles, as well as the use thereof for the cosmetic or dermatological treatment and/or prophylaxis of undesired skin pigmentation.

  通用公式(I)的烷基氨基噻唑，其中R1=—C1-C24烷基（直链和支链），—C1-C24烯基（直链和支链），—C1-C8环烷基，—C1-C8环烷基-烷基羟基，—C1-C24烷基羟基（直链和支链），—C1-C24烷基胺（直链和支链），—C1-C24烷基芳基（直链和支链），—C1-C24烷基芳基-烷基-羟基（直链和支链），—C1-C24烷基-杂环芳基（直链和支链），—C1-C24-烷基-O—C1-C24-烷基（直链和支链），—C1-C24烷基吗啉基，—C1-C24烷基哌啶基，—C1-C24烷基哌嗪基，—C1-C24烷基-哌嗪基-N-烷基，以及具有一种或多种烷基氨基噻唑有效含量的化妆品或皮肤病学制剂，以及将其用于化妆品或皮肤病学治疗和/或预防不良皮肤色素沉着。