5-仲丁基-[1,3,4]噻二唑-2-胺 | 62492-20-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 5-仲丁基-[1,3,4]噻二唑-2-胺
• 英文名称: 5-sec-butyl-[1,3,4]thiadiazol-2-ylamine
• 英文别名: 5-sec-butyl-[1,3,4]thiadiazol-2-ylamine；5-sec-Butyl-[1,3,4]thiadiazol-2-ylamin；5-butan-2-yl-1,3,4-thiadiazol-2-amine
• CAS: 62492-20-0
• 化学式: C₆H₁₁N₃S
• 分子量: 157.239
• InChiKey: ITHBEZPPWOVHKS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  80
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  5-仲丁基-[1,3,4]噻二唑-2-胺 、 草酰氯单乙酯 以82%的产率得到
  参考文献：
  名称：

  CHERNYX, V. P.;OKE, DZHEJMS, MAKURINA, V. I.;BEZUGLYJ, P. A., YKP. XIM. ZH., 1982, 48, N 8, 856-858

  摘要：

  DOI：
• 作为产物：
  描述：

  2-甲基丁酸 、 氨基硫脲 在 硫酸 作用下， 生成 5-仲丁基-[1,3,4]噻二唑-2-胺
  参考文献：
  名称：

  SOME HYPOGLYCEMIC THIADIAZOLES

  摘要：

  不可用

  DOI：

  10.1139/v59-165

文献信息

• NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF
  申请人：FUJIFILM Corporation

  公开号：US20150322063A1

  公开（公告）日：2015-11-12

  A compound represented by Formula [1] (in the formula, Z 1 represents N, CH, or the like; X 1 represents NH or the like; R 1 represents a heteroaryl group or the like; each of R 2 , R 3 , and R 4 represents a hydrogen atom, a halogen atom, an alkoxy group, or the like; and R 5 represents a heteroaryl group or the like) or salt thereof.

  由式[1]表示的化合物（在该式中，Z表示N、CH或类似物；X表示NH或类似物；R表示杂环烷基或类似物；R2、R3和R4中的每一个表示氢原子、卤原子、烷氧基或类似物；R5表示杂环烷基或类似物）或其盐。
• Heterocyclic Compounds Which Modulate The CB2 Receptor
  申请人：Bartolozzi Alessandra

  公开号：US20110312944A1

  公开（公告）日：2011-12-22

  Compounds which modulate the CB2 receptor are disclosed. Compounds according to the invention bind to and are agonists of the CB2 receptor, and are useful for treating inflammation. Those compounds which are agonists are additionally useful for treating pain.

  本发明揭示了调节CB2受体的化合物。根据本发明，这些化合物与CB2受体结合并作为激动剂，用于治疗炎症。那些作为激动剂的化合物还可用于治疗疼痛。
• NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF
  申请人：FUJIFILM Corporation

  公开号：EP2944637A1

  公开（公告）日：2015-11-18

  A compound represented by Formula [1] (in the formula, Z1 represents N, CH, or the like; X1 represents NH or the like; R1 represents a heteroaryl group or the like; each of R2, R3, and R4 represents a hydrogen atom, a halogen atom, an alkoxy group, or the like; and R5 represents a heteroaryl group or the like) or salt thereof.

  式 [1] 所代表的化合物（式中，Z1 代表 N、CH 或类似物；X1 代表 NH 或类似物；R1 代表杂芳基或类似物；R2、R3 和 R4 各代表氢原子、卤素原子、烷氧基或类似物；R5 代表杂芳基或类似物）或其盐。
• Virtual Screening Identification of Nonfolate Compounds, Including a CNS Drug, as Antiparasitic Agents Inhibiting Pteridine Reductase
  作者：Stefania Ferrari、Federica Morandi、Domantas Motiejunas、Erika Nerini、Stefan Henrich、Rosaria Luciani、Alberto Venturelli、Sandra Lazzari、Samuele Calò、Shreedhara Gupta、Veronique Hannaert、Paul A. M. Michels、Rebecca C. Wade、M. Paola Costi

  DOI：10.1021/jm1010572

  日期：2011.1.13

  Folate analogue inhibitors of Leishmania major pteridine reductase (PTR1) are potential antiparasitic drug candidates for combined therapy with dihydrofolate reductase (DHFR) inhibitors To identify new molecules with specificity for PTR1, we carried out a virtual screening of the Available Chemicals Directory (ACD) database to select compounds that could interact with L major PTR1 but not with human DHFR Through two rounds of drug discovery, we successfully identified eighteen drug-like molecule, with low micromolar affinities and high in vitro specificity profiles Their efficacy against Leishmania species was studied in cultured cells of the promastigote stage, using the compounds both alone and in combination with 1 (pyrimethamine, 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine) Six compounds showed efficacy only in combination In toxicity tests against human fibroblasts, several compounds showed low toxicity One compound, 5c (riluzole, 6-(trifluoromethoxy)-1,3-benzothiazol-2-ylamine,), a known drug approved for CNS pathologies, was active in combination and is suitable for early preclinical evaluation of its potential for label extension as a PTR1 inhibitor and antiparasitic drug candidate
• US4018787A
  申请人：——

  公开号：US4018787A

  公开（公告）日：1977-04-19