2-Isobutyl-5-isopropyl-1,3,4-thiadiazol | 41398-11-2

• 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-Isobutyl-5-isopropyl-1,3,4-thiadiazol
• 英文别名: 2-isobutyl-5-isopropyl-[1,3,4]thiadiazole；2-(2-Methylpropyl)-5-propan-2-yl-1,3,4-thiadiazole
• CAS: 41398-11-2
• 化学式: C₉H₁₆N₂S
• 分子量: 184.305
• InChiKey: AUYJZKDXKFZZFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-methyl-butyric acid N'-isobutyryl-hydrazide 在 tetraphosphorus decasulfide 作用下， 生成 2-Isobutyl-5-isopropyl-1,3,4-thiadiazol
  参考文献：
  名称：

  Lund,H., Acta Chemica Scandinavica (1947), 1973, vol. 27, p. 391 - 395

  摘要：

  DOI：

文献信息

• PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME
  申请人：Matsukura Masayuki

  公开号：US20100099718A1

  公开（公告）日：2010-04-22

  The present invention provides an antifungal agent that has excellent antifungal action, and is also excellent in terms of its properties, safety, and metabolic stability. The present invention discloses a compound represented by the following formula I or a salt thereof, and an antifungal agent comprising the compound or the salt: wherein R 1 represents a hydrogen atom, a halogen atom, an amino group, a C 1-6 alkyl group, a C 1-6 alkoxy group, or a C 1-6 -alkoxy-C 1-6 -alkyl group; R 2 represents a hydrogen atom or an amino group; X, Y, Z, and W independently represent a nitrogen atom, an oxygen atom, a sulfur atom, or —CH—, provided that at least two among X, Y, and W are nitrogen atoms; the ring A represents a 5- or 6-membered heteroaryl ring or a benzene ring; Q represents a methylene group, an oxygen atom, —CH 2 O—, —OCH 2 —, —NH—, —NHCH 2 —, or —CH 2 NH—; and R 3 represents a C 1-6 alkyl group, a C 3-8 cycloalkyl group, a C 6-10 aryl group, or a 5- or 6-membered heteroaryl group, each of which may have one or two substituents.

  本发明提供了一种具有优异的抗真菌作用的抗真菌剂，同时在其性质、安全性和代谢稳定性方面也具有优异的性能。本发明揭示了以下式I或其盐所表示的化合物以及包含该化合物或其盐的抗真菌剂：其中，R1表示氢原子、卤素原子、氨基、C1-6烷基、C1-6烷氧基或C1-6烷氧基-C1-6烷基；R2表示氢原子或氨基；X、Y、Z和W独立地表示氮原子、氧原子、硫原子或-CH-，但至少有两个是氮原子；环A表示5-或6-成员杂芳环或苯环；Q表示亚甲基、氧原子、-CH2O-、-OCH2-、-NH-、-NHCH2-或-CH2NH-；R3表示C1-6烷基、C3-8环烷基、C6-10芳基或5-或6-成员杂芳基，每个基团都可以有一个或两个取代基。
• PYRIDONS AS PDK1 INHIBITORS
  申请人：Engelhardt Harald

  公开号：US20110269958A1

  公开（公告）日：2011-11-03

  The present invention encompasses compounds of general formula (1) while the groups R 4 to R 7 and the units W, L, Q a and Q H are defined as in claim 1 , which are suitable for the treatment of diseases characterised by excessive or abnormal cell proliferation, and their use as medicaments having the above-mentioned properties.

  本发明涵盖了一般式（1）的化合物，其中R4到R7和单位W、L、Qa和QH的定义如权利要求1所述，适用于治疗由过度或异常细胞增殖特征的疾病，并且它们作为具有上述特性的药物的用途。
• HETEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS
  申请人：Engelhardt Harald

  公开号：US20110313156A1

  公开（公告）日：2011-12-22

  The present invention encompasses compounds of general formula (1) wherein the units W, A, L, Q a and Q H are defined as in claim 1 , which are suitable for the treatment of diseases characterised by excessive or abnormal cell proliferation, and their use as medicaments having the above-mentioned properties.

  本发明涵盖了一般式（1）中的化合物，其中W，A，L，Qa和QH的定义如权利要求书中所述，适用于治疗由过度或异常细胞增殖所特征化的疾病，并且它们作为具有上述特性的药物的用途。
• Polycyclic pyridone derivative having integrase inhibitory activity
  申请人：Shionogi & Co., Ltd.

  公开号：US10011613B2

  公开（公告）日：2018-07-03

  The present invention relates to a novel compound having an antiviral effect, more specifically, a pyridone derivative having HIV integrase inhibitory activity, and a medicament containing the same, in particular, an anti-HIV agent. The compound of the present invention has integrase inhibitory activity and/or cell proliferation inhibitory activity against viruses, in particular, HIV and drug-resistant strains thereof. Thus, the compound is useful in preventing or treating various diseases, viral infections (for example, AIDS), and the like in which integrase participates.

  本发明涉及一种具有抗病毒作用的新型化合物，更具体地说，是一种具有艾滋病病毒整合酶抑制活性的吡啶酮衍生物，以及含有该化合物的药物，特别是抗艾滋病病毒药物。本发明的化合物对病毒，特别是艾滋病毒及其耐药菌株具有整合酶抑制活性和/或细胞增殖抑制活性。因此，本发明化合物可用于预防或治疗整合酶参与的各种疾病、病毒感染（如艾滋病）等。
• POLYCYCLIC PYRIDONE DERIVATIVE HAVING INTEGRASE INHIBITORY ACTIVITY
  申请人：Shionogi & Co., Ltd.

  公开号：US20170226128A1

  公开（公告）日：2017-08-10

  The present invention relates to a novel compound having an antiviral effect, more specifically, a pyridone derivative having HIV integrase inhibitory activity, and a medicament containing the same, in particular, an anti-HIV agent. The compound of the present invention has integrase inhibitory activity and/or cell proliferation inhibitory activity against viruses, in particular, HIV and drug-resistant strains thereof. Thus, the compound is useful in preventing or treating various diseases, viral infections (for example, AIDS), and the like in which integrase participates.