2-(1-哌嗪基)-5噻唑羧酸甲酯 | 726185-68-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 2-(1-哌嗪基)-5噻唑羧酸甲酯
• 中文别名: 2-(哌嗪基)噻唑-5-甲酸甲酯
• 英文名称: methyl 2-piperazin-1-yl-1,3-thiazole-5-carboxylate
• 英文别名: 2-piperazin-1-yl-thiazole-5-carboxylic acid methyl ester；methyl 2-(1-piperazinyl)-thiazole-5-carboxylate；Methyl 2-(piperazin-1-yl)thiazole-5-carboxylate
• CAS: 726185-68-8
• 化学式: C₉H₁₃N₃O₂S
• 分子量: 227.287
• InChiKey: NWHPWSRLTNLURY-UHFFFAOYSA-N

物化性质

• 沸点：
  366.9±52.0 °C(Predicted)
• 密度：
  1.274±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  82.7
• 氢给体数：
  1
• 氢受体数：
  6

安全信息

• 海关编码：
  2934100090
• 储存条件：
  2-8°C

反应信息

• 作为反应物：
  描述：

  2-(1-哌嗪基)-5噻唑羧酸甲酯 在 氰化钠 氨 作用下， 以 四氢呋喃 为溶剂， 反应 104.0h， 生成 2-{4-[2-(trifluoromethyl)benzyl]piperazin-1-yl}-1,3-thiazole-5-carboxamide
  参考文献：
  名称：

  WO2006/130986

  摘要：

  公开号：
• 作为产物：
  描述：

  tert-butyl 4-[5-(methoxycarbonyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 2-(1-哌嗪基)-5噻唑羧酸甲酯
  参考文献：
  名称：

  Inhibitors of histone deacetylase

  摘要：

  揭示了抑制组蛋白去乙酰化酶（HDAC）酶活性的化合物。还揭示了包含这些化合物的药物组合物，以及治疗病症的方法，特别是至少部分由HDAC介导的增殖性病症。

  公开号：

  US20050197336A1

文献信息

• Carboxylic acids and the esters thereof, pharmaceutical compositions thereto and processes for the preparation thereof
  申请人：Boehringer Ingelheim International GmbH

  公开号：US20040192729A1

  公开（公告）日：2004-09-30

  The present invention relates to carboxylic acids and esters of general formula 1 wherein Ar, R, R 1 , X 1 , X 3 , X 4 , Y and Y 1 are defined as in claim 1, the tautomers, the diastereomers, the enantiomers, the mixtures thereof and the salts thereof, particularly the physiologically acceptable salts thereof with inorganic or organic acids or bases, pharmaceutical compositions containing these compounds, the use thereof and processes for the preparation thereof, as well as the use thereof for the production and purification of antibodies and as labelled compounds in RIA and ELISA assays and as diagnostic or analytical aids in neurotransmitter research.

  本发明涉及通式1的羧酸和酯，其中Ar、R、R1、X1、X3、X4、Y和Y1如权利要求1中所定义，其互变异构体、顺反异构体、对映体、其混合物及其盐，特别是其与无机或有机酸或碱的生理上可接受的盐，含有这些化合物的药物组合物，其用途和制备方法，以及其用于抗体的生产和纯化以及在放射免疫测定和酶联免疫吸附测定中作为标记化合物以及在神经递质研究中作为诊断或分析辅助工具的用途。
• INHIBITORS OF HISTONE DEACETYLASE
  申请人：Anandan Sampath K.

  公开号：US20080139535A1

  公开（公告）日：2008-06-12

  Disclosed are compounds which inhibit histone deacetylase (HDAC) enzymatic activity. Also disclosed are pharmaceutical compositions comprising such compounds as well as methods to treat conditions, particularly proliferative conditions, mediated at least in part by HDAC.

  本发明涉及一种抑制组蛋白去乙酰化酶（HDAC）酶活性的化合物。还涉及包含这些化合物的制药组合物以及治疗至少部分由HDAC介导的疾病状态，特别是增殖性疾病状态的方法。
• Azacyclohexane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase
  申请人：Li Chun Sing

  公开号：US20090099200A1

  公开（公告）日：2009-04-16

  Azacyclohexane derivatives of structural formula I are selective inhibitors of stearoyl-coenzyme A delta-9 desaturase (SCD1) relative to other known stearoyl-coenzyme A desaturases. The compounds of the present invention are useful for the prevention and treatment of conditions related to abnormal lipid synthesis and metabolism, including cardiovascular disease, atherosclerosis; obesity; diabetes; neurological disease; metabolic syndrome; insulin resistance; and liver steatosis.

  结构式I的脂环己基衍生物是选择性抑制硬脂酰辅酶A delta-9去饱和酶（SCD1）相对于其他已知的硬脂酰辅酶A去饱和酶的化合物。本发明的化合物可用于预防和治疗与异常脂质合成和代谢有关的疾病，包括心血管疾病、动脉粥样硬化、肥胖症、糖尿病、神经系统疾病、代谢综合征、胰岛素抵抗和肝脂肪变性。
• Design and synthesis of thiazole-5-hydroxamic acids as novel histone deacetylase inhibitors
  作者：Sampath-Kumar Anandan、John S. Ward、Richard D. Brokx、Trisha Denny、Mark R. Bray、Dinesh V. Patel、Xiao-Yi Xiao

  DOI：10.1016/j.bmcl.2007.07.050

  日期：2007.11

  We have designed and synthesized a series of structurally novel hydroxamic acid-based histone deacetylase (HDAC) inhibitors characterized by a zinc chelating head group attached directly to a thiazole ring. The thiazole ring connects to a piperazine spacer, which is capped with a sulfonamide group. These novel molecules potently inhibit an HDAC enzyme mixture derived from HeLa cervical carcinoma cells and show potent antiproliferative activity against the breast cancer cell line MCF7. (c) 2007 Elsevier Ltd. All rights reserved.
• AZACYCLOHEXANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE
  申请人：Merck Frosst Canada Ltd.

  公开号：EP1902051A1

  公开（公告）日：2008-03-26