3-(叔丁基)-1H-1,2,4-噻唑 | 96440-78-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 3-(叔丁基)-1H-1,2,4-噻唑
• 英文名称: 3-tert-butyl-1,2,4-triazole
• 英文别名: 3-(tert-butyl)-1H-1,2,4-triazole；3-Tert-butyl-1H-1,2,4-triazole；5-tert-butyl-1H-1,2,4-triazole
• CAS: 96440-78-7
• 化学式: C₆H₁₁N₃
• mdl: MFCD11847493
• 分子量: 125.173
• InChiKey: OKQVUMMFRMUJMX-UHFFFAOYSA-N

物化性质

• 沸点：
  238.1±23.0 °C(Predicted)
• 密度：
  1.035±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  3-(叔丁基)-1H-1,2,4-噻唑 在 sodium hydroxide 、 溴 作用下， 以 水 为溶剂， 反应 3.0h， 生成 5-溴-3-叔丁基-1H-1,2,4-三唑
  参考文献：
  名称：

  MALONONITRILE COMPOUND AND USE THEREOF

  摘要：

  公开号：

  EP1710234B1
• 作为产物：
  描述：

  1-[3-(2-甲基-2-丙基)-1H-1,2,4-三唑-1-基]-1-丙酮 在 L-丙氨酸 、 水 作用下， 以 乙腈 为溶剂， 生成 3-(叔丁基)-1H-1,2,4-噻唑 、 丙酸
  参考文献：
  名称：

  Remarkably Distinctive Recognition of .alpha.-Alanine and .alpha.-Phenylalanine during the Water-Catalyzed Hydrolysis of an Activated Amide

  摘要：

  The rate of the water-catalyzed hydrolysis of three activated amides in aqueous solution is significantly retarded by small amounts of a-phenylalanine as compared with the rate acceleration induced by other common a-amino acids not containing a benzyl-group in their side chain. These contrasting effects emphasize the large hydrophobicity of a-phenylalanine and are of relevance for a better quantitative understanding of protein folding and molecular recognition processes involving proteins.

  DOI：

  10.1021/j100016a008

文献信息

• IDO INHIBITORS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20160289171A1

  公开（公告）日：2016-10-06

  There are disclosed compounds that modulate or inhibit the enzymatic activity of indoleamine 2,3-dioxygenase (IDO), pharmaceutical compositions containing said compounds and methods of treating proliferative disorders, such as cancer, viral infections and/or inflammatory disorders utilizing the compounds of the invention.

  已披露的化合物可调节或抑制吲哌酮胺2,3-二氧化酶（IDO）的酶活性，含有该化合物的药物组合物以及利用本发明的化合物治疗增殖性疾病，如癌症、病毒感染和/或炎症性疾病的方法。
• SUBSTITUTED HETEROCYCLES AS ANTIVIRAL AGENTS
  申请人：Enanta Pharmaceuticals, Inc.

  公开号：US20190224188A1

  公开（公告）日：2019-07-25

  The present invention discloses compounds of Formula (I), and pharmaceutically acceptable salts thereof: which inhibit the protein(s) encoded by hepatitis B virus (HBV) or interfere with the function of the HBV life cycle of the hepatitis B virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HBV infection. The invention also relates to methods of treating an HBV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention.

  本发明公开了式(I)的化合物及其药学上可接受的盐： 这些化合物抑制由乙型肝炎病毒（HBV）编码的蛋白质或干扰乙型肝炎病毒的生命周期功能，并且还可用作抗病毒剂。本发明还涉及包括上述化合物的药物组合物，用于治疗患有HBV感染的受试者。该发明还涉及通过给予包含本发明化合物的药物组合物来治疗受试者的HBV感染的方法。
• CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS
  申请人：Melvin, JR. Lawrence S.

  公开号：US20100022543A1

  公开（公告）日：2010-01-28

  The present invention provides a compound of general Formula (I) having histone deacetylase (HDAC) inhibitory activity, a pharmaceutical composition comprising the compound, and a method useful to treat diseases using the compound.

  本发明提供了一种具有组蛋白去乙酰化酶（HDAC）抑制活性的一般式（I）化合物，包括该化合物的药物组合物，以及使用该化合物治疗疾病的方法。
• Substituted Imidazopyridines as HDM2 Inhibitors
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20140179680A1

  公开（公告）日：2014-06-26

  The present invention provides substituted imidazopyridines as described herein or a pharmaceutically acceptable salt or solvate thereof. The representative compounds are useful as inhibitors of the HDM2 protein. Also disclosed are pharmaceutical compositions comprising the above compounds and potential methods of treating cancer using the same.

  本发明提供了如本文所述的取代咪唑吡啶或其药用可接受的盐或溶剂。代表性化合物可用作HDM2蛋白的抑制剂。还公开了包括上述化合物的药物组合物以及使用它们治疗癌症的潜在方法。
• THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE
  申请人：Lemieux Rene M.

  公开号：US20150031627A1

  公开（公告）日：2015-01-29

  Provided are methods of treating a cancer characterized by the presence of a mutant allele of IDH1/2 comprising administering to a subject in need thereof a compound described here.

  提供的方法是治疗一种由IDH1/2突变等位基因特征性存在的癌症，包括向需要此治疗的患者施用此处描述的化合物。