2-乙基-5-异丙基-1,3,4-噻二唑 | 41398-03-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2-乙基-5-异丙基-1,3,4-噻二唑
• 英文名称: 2-iso-Propyl-5-ethyl-1,3,4-thiadiazol
• 英文别名: 2-ethyl-5-isopropyl-[1,3,4]thiadiazole；2-Ethyl-5-isopropyl-1,3,4-thiadiazole；2-ethyl-5-propan-2-yl-1,3,4-thiadiazole
• CAS: 41398-03-2
• 化学式: C₇H₁₂N₂S
• 分子量: 156.252
• InChiKey: LJVPGIKWYUTWDW-UHFFFAOYSA-N

物化性质

• 沸点：
  243.8±9.0 °C(Predicted)
• 密度：
  1.053±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 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：

  N-isobutyryl-N'-propionyl-hydrazine 在 tetraphosphorus decasulfide 作用下， 生成 2-乙基-5-异丙基-1,3,4-噻二唑
  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

• SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS
  申请人：GLAXOSMITHKLINE LLC

  公开号：US20150152108A1

  公开（公告）日：2015-06-04

  The present invention relates to novel substituted bridged urea compounds, corresponding related analogs, pharmaceutical compositions and methods of use thereof. Sirtuin-modulating compounds of the present invention may be used for increasing the lifespan of a cell, and treating and/or preventing a wide variety of diseases and disorders, which include, but are not limited to, for example, diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting disorders, inflammation, cancer, and/or flushing as well as diseases or disorders that would benefit from increased mitochondrial activity. The present invention also related to compositions comprising a sirtuin-modulating compound in combination with another therapeutic agent.

  本发明涉及新型取代桥式脲化合物，相应的相关类似物，药物组合物以及其使用方法。本发明的抑制素调节化合物可用于延长细胞寿命，并治疗和/或预防各种疾病和疾病，包括但不限于与衰老或压力、糖尿病、肥胖、神经退行性疾病、心血管疾病、血液凝块疾病、炎症、癌症和/或潮红有关的疾病或疾病，以及那些会受益于增加线粒体活性的疾病或疾病。本发明还涉及包含抑制素调节化合物与另一治疗剂组合的组合物。
• [EN] METTL3 MODULATORS<br/>[FR] MODULATEURS DE METTL3
  申请人：ACCENT THERAPEUTICS INC

  公开号：WO2021081211A1

  公开（公告）日：2021-04-29

  Provided are compounds of Formula (I') or (I) below, or pharmaceutically acceptable salts thereof, and methods for their use and production.

  提供的是下面公式（I'）或（I）的化合物，或者是它们的药用可接受盐，以及它们的用途和生产方法。
• [EN] IMIDAZO-PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS<br/>[FR] DÉRIVÉS D'IMIDAZO-PYRAZINE UTILES EN TANT QU'ACTIVATEURS DE GUANYLATE CYCLASES SOLUBLES
  申请人：MERCK SHARP & DOHME

  公开号：WO2015187470A1

  公开（公告）日：2015-12-10

  A compound of Formula II or a pharmaceutically acceptable salt thereof, are capable of modulating the body's production of cyclic guanosine monophosphate ("cGMP") and are generally suitable for the therapy and prophylaxis of diseases which are associated with a disturbed cGMP balance. The invention furthermore relates to processes for preparing compounds of Formula II, or a pharmaceutically acceptable salt thereof, for their use in the therapy and prophylaxis of the abovementioned diseases and for preparing pharmaceuticals for this purpose, and to pharmaceutical preparations which comprise compounds of Formula II or a pharmaceutically acceptable salt thereof.

  公式II的化合物或其药学上可接受的盐，能够调节体内环鸟苷酸单磷酸（"cGMP"）的产生，并且通常适用于治疗和预防与紊乱的cGMP平衡相关的疾病。此外，本发明还涉及制备公式II的化合物或其药学上可接受的盐的方法，用于治疗和预防上述疾病，并为此目的制备药物，以及包含公式II的化合物或其药学上可接受的盐的药物制剂。
• FUSED RING HETEROARYL COMPOUNDS AND THEIR USE AS TRK INHIBITORS
  申请人：HANDOK INC.

  公开号：US20160168156A1

  公开（公告）日：2016-06-16

  The disclosure provides novel chemical compounds represented by Formula I or a pharmaceutically acceptable salt, solvate, polymorph, ester, tautomer or prodrug thereof. The compounds can be used as an inhibitor of Trk and are useful in the treatment of pain, cancer, inflammation, neurodegenerative disease and certain infectious diseases. In some compounds of Formula I, Q is —CH═CR 3 C(O)NR 4 R 5 , —C≡CC(O)NR 4 R 5 , or

  该披露提供了由化学式I或其药用可接受的盐、溶剂化合物、多型体、酯、互变异构体或前药表示的新型化合物。这些化合物可用作Trk的抑制剂，并且在治疗疼痛、癌症、炎症、神经退行性疾病和某些传染病方面是有用的。 在化合物I的某些化合物中，Q为—CH═CR3C(O)NR4R5，—C≡CC(O)NR4R5，或...
• [EN] GLUTAMINASE INHIBITORS<br/>[FR] INHIBITEURS DE GLUTAMINASE
  申请人：UNIV PITTSBURGH

  公开号：WO2016054388A1

  公开（公告）日：2016-04-07

  A compound, or a pharmaceutically acceptable salt thereof, having a structure of: Formula A wherein A is a ring; Y1 and Y2 are each independently N or C with the proper valency; X1 and X2 are each independently -NH-, -0-, -CH2-0-, -NH-CH2-, or -N(CH3)-CH2-, provided that when at least one of X1 and X2 is -CH2-0-, -NH-CH2-, or -N(CH3)-CH2- then the - CH2- is directly connected to A; a and b are each independently 0 or 1; c and d are each independently 0 or 1; Z1 and Z2 are each independently a heterocyclic; and R1 and R2 are each independently optionally substituted alkyl, optionally substituted aralkyl, optionally substituted cycloalkyl, amino, optionally substituted heteroaralkyl, optionally substituted alkylalkoxy, optionally substituted alkylaryloxy, optionally substituted aryl, optionally substituted heteroaryl, or optionally substituted heterocycloalkyl; provided that if Y1 and Y2 are each C, then a is 1 and b is 1; provided that if Y1 and Y2 are each N, then a is 0 and b is 0; provided that if Y1 is N and Y2 is C, then a=0 and b=l; provided that if Y1 is C and Y2 is N, then a=l and b=0; provided that if c=0 and d=0, then R1 and R2 are both amino; provided that if c is 1 and d is 1, then both R1 and R2 are not amino; provided that if c is 0 and d is 1, then R1 is amino and R2 is optionally substituted alkyl, optionally substituted aralkyl, optionally substituted cycloalkyl, optionally substituted heteroaralkyl, optionally substituted alkylalkoxy, optionally substituted alkylaryloxy, optionally substituted aryl, optionally substituted heteroaryl, or optionally substituted heterocycloalkyl; and provided that if c is 1 and d is 0, then R2 is amino and R1 is optionally substituted alkyl, optionally substituted aralkyl, optionally substituted cycloalkyl, optionally substituted heteroaralkyl, optionally substituted alkylalkoxy, optionally substituted alkylaryloxy, optionally substituted aryl, optionally substituted heteroaryl, or optionally substituted heterocycloalkyl.

  一种化合物，或其药学上可接受的盐，其结构如下：公式A，其中A是一个环；Y1和Y2分别独立地是N或C，具有适当的价；X1和X2分别独立地是-NH-、-O-、-CH2-O-、-NH- -或-N(CH3)- -，但是当X1和X2中至少有一个是- -O-、-NH- -或-N( )- -时，那么- -直接连接到A；a和b分别独立地是0或1；c和d分别独立地是0或1；Z1和Z2分别独立地是一个杂环；R1和R2分别独立地是可选择地取代的烷基、可选择地取代的芳基烷基、可选择地取代的环烷基、氨基、可选择地取代的杂芳基烷基、可选择地取代的烷基氧基、可选择地取代的烷基芳基氧基、可选择地取代的芳基、可选择地取代的杂芳基、或可选择地取代的杂环烷基；但是如果Y1和Y2分别是C，则a为1且b为1；如果Y1和Y2分别是N，则a为0且b为0；如果Y1是N且Y2是C，则a=0且b=1；如果Y1是C且Y2是N，则a=1且b=0；如果c=0且d=0，则R1和R2都是氨基；如果c为1且d为1，则R1和R2都不是氨基；如果c为0且d为1，则R1是氨基且R2是可选择地取代的烷基、可选择地取代的芳基烷基、可选择地取代的环烷基、可选择地取代的杂芳基烷基、可选择地取代的烷基氧基、可选择地取代的烷基芳基氧基、可选择地取代的芳基、可选择地取代的杂芳基、或可选择地取代的杂环烷基；如果c为1且d为0，则R2是氨基且R1是可选择地取代的烷基、可选择地取代的芳基烷基、可选择地取代的环烷基、可选择地取代的杂芳基烷基、可选择地取代的烷基氧基、可选择地取代的烷基芳基氧基、可选择地取代的芳基、可选择地取代的杂芳基、或可选择地取代的杂环烷基。