5-(4-Butoxyphenyl)-1,3,4-thiadiazol-2-amine | 235108-64-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-(4-Butoxyphenyl)-1,3,4-thiadiazol-2-amine
• CAS: 235108-64-2
• 化学式: C₁₂H₁₅N₃OS
• mdl: MFCD00600444
• 分子量: 249.337
• InChiKey: OACLVJZGKWIEAB-UHFFFAOYSA-N

物化性质

• 沸点：
  419.9±47.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  89.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-(4-Butoxyphenyl)-1,3,4-thiadiazol-2-amine 在 三乙基硅烷 、 N-羟基-7-氮杂苯并三氮唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 (2S)-2-amino-N-[5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
  参考文献：
  名称：

  Non-peptidic small molecule inhibitors of XIAP

  摘要：

  Non-peptidic small molecule SMAC mimetics were designed and synthesized that bind to the BIR3 domain of XIAP using structure-based design. Substituted five-membered heterocycles such as thiazoles and imidazoles were identified that serve as replacements for peptide fragments of the lead. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.010
• 作为产物：
  描述：

  4-丁氧基苯甲醛 在 三氯化铁 作用下， 以 乙醇 为溶剂， 生成 5-(4-Butoxyphenyl)-1,3,4-thiadiazol-2-amine
  参考文献：
  名称：

  Synthesis and Properties of Schiff's Bases Derived from 1,3,4-Thiadiazole as a Mesogenic Unit

  摘要：

  Some new liquid crystalline 2,5-disubstituted 1,3,3-thiadiazole derivatives incorporating a central group (-CH=N-) have been synthesized by treating 2-amino-5-(4-alkoxyphenyl)-1,3.4-thiadiazole with corresponding p-alkoxybenzaldehyde. Their structures have been characterized with Elementary Analysis, IR, (HNMR)-H-1 and MS, and their properties were determined by using DSC and Texture. All 12 compounds are enantiotropic liquid crystals, and most of them exhibit nematic mesomorphism and broad smectic C mesomorphic ranges. Several compounds show only the smectic C mesophase. By introducing an -OH group into the phenyl ring the thermal stability of the mesophases increases due to the formation of a hydrogen bond.

  DOI：

  10.1080/10587250008025240

文献信息

• Cyclic hexapeptides with antimicrobial activity
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US06232290B1

  公开（公告）日：2001-05-15

  This invention relates to new polypeptide compounds represented by general formula (I), wherein R1, R2, R3 and R4 are as defined in the description or a salt thereof which has antimicrobial activities (especially, antifungal activities), inhibitory activity on &bgr;-1,3-glucan synthase, to process for preparation thereof, to a pharmaceutical composition comprising the same, and to a method for prophylactic and/or therapeutic treatment of infectious diseases including Pneumocystis carinii infection (e.g. Pneumocystis carinii pneumonia) in a human being or an animal.

  本发明涉及新的多肽化合物，其通式表示为（I），其中R1、R2、R3和R4如描述中所定义，或其盐，具有抗微生物活性（特别是抗真菌活性），对β-1,3-葡聚糖合酶的抑制活性，以及其制备方法、包括该化合物的制药组合物，以及用于治疗和/或预防包括人类或动物的肺孢子菌感染（例如肺孢子菌性肺炎）的传染病的方法。
• Triazole Compounds and Methods of Making and Using the Same
  申请人：Rib-X Pharmaceuticals, Inc.

  公开号：US20140094422A1

  公开（公告）日：2014-04-03

  The present invention provides triazole macrocyclic compounds useful as therapeutic agents. More particularly, these compounds are useful as anti-infective, anti-proliferative, anti-inflammatory, and prokinetic agents. These compounds are represented by the following formula (I): wherein R 1 , R 2 , etc. are defined as in Claim 1.

  本发明提供了三唑大环化合物，可用作治疗剂。更具体地说，这些化合物可用作抗感染、抗增殖、抗炎和促动力剂。这些化合物由以下式（I）表示：其中，R1，R2等如权利要求书1中所定义。
• TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME
  申请人：Melinta Therapeutics, Inc.

  公开号：US20160152654A1

  公开（公告）日：2016-06-02

  The present invention provides triazole macrocyclic compounds useful as therapeutic agents. More particularly, these compounds are useful as anti-infective, anti-proliferative, anti-inflammatory, and prokinetic agents. These compounds are represented by the following formula (I): wherein R 1 , R 2 , etc. are defined as in claim 1.

  本发明提供了三唑宏环化合物，其作为治疗剂具有用途。更具体地说，这些化合物可用作抗感染、抗增殖、抗炎和促动力剂。这些化合物由以下公式（I）表示：其中R1、R2等在权利要求书中定义。
• Synthesis and Mesomorphic Properties of New Columnar Liquid Crystal Containing 1,3,5-triiminebenzene with Pendant 1,3,4-thiadiazole Group
  作者：Mustafa K. S. Al-Malki、Ayad S. Hameed、Ammar H. Al-Dujaili

  DOI：10.1080/15421406.2013.864546

  日期：2014.4.13

  A novel discotic liquid crystal series based on 1,3,5-benzenetrisazomethine derivatives with three pendant 2-amino-5-(4'-n-alkoxy) phenyl-1,3,4-thiadiazole has been synthesized, which is the first columnar molecules containing 1,3,4-thiadiazole moiety exhibiting a discotic liquid crystal. The molecular structure of compounds was confirmed by FT-IR, H-1-NMR, and mass spectroscopy and elemental analysis. The electron excitation properties of these compounds were investigated by UV-vis absorption spectroscopy. Their liquid crystalline properties were studied by polarizing optical microscopy and differential scanning calorimetry. The formation of a columnar mesophase was found to be dependent on the number of methylene unit in alkoxy side chains.
• Neue Imidazo(2.1-b)-(1.3.4)-thiadiazole, Verfahren zu ihrer Herstellung und diese enthaltende Arzneimittel
  申请人：BAYER AG

  公开号：EP0005783B1

  公开（公告）日：1981-12-30