5-(5-methyl-2-furyl)tetrazole | 60838-03-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(5-methyl-2-furyl)tetrazole
• 英文别名: 5-(5-methyl-furan-2-yl)-1(2)H-tetrazole；5-(5-methylfuran-2-yl)-2H-tetrazole
• CAS: 60838-03-1
• 化学式: C₆H₆N₄O
• mdl: MFCD02745834
• 分子量: 150.14
• InChiKey: STGNFTIDRYAADO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  67.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  氯乙酰氯 、 5-(5-methyl-2-furyl)tetrazole 以 邻二甲苯 为溶剂， 反应 5.0h， 以92%的产率得到2-chloromethyl-5-(5-methyl-2-furyl)-1,3,4-oxadiazole
  参考文献：
  名称：

  Synthesis of 2-Chloromethyl-5-aryl-, 2-Chloromethyl-5-(5-methyl-2-furyl)-, and 2-Chloromethyl-5-(1,5-dimethyl-2-pyrrolyl)-1,3,4-oxadiazoles from Tetrazole Derivatives

  摘要：

  研究了乙酰化5-芳基四唑、5-(5-甲基-2-呋喃基)四唑和5-(1,5-二甲基-2-吡咯基)四唑与氯乙酰氯的反应。

  DOI：

  10.1007/s11167-005-0389-6
• 作为产物：
  描述：

  5-甲基-2-糠腈 在 sodium azide 、 氯化铵 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 以85%的产率得到5-(5-methyl-2-furyl)tetrazole
  参考文献：
  名称：

  Synthesis of 2-Chloromethyl-5-aryl-, 2-Chloromethyl-5-(5-methyl-2-furyl)-, and 2-Chloromethyl-5-(1,5-dimethyl-2-pyrrolyl)-1,3,4-oxadiazoles from Tetrazole Derivatives

  摘要：

  研究了乙酰化5-芳基四唑、5-(5-甲基-2-呋喃基)四唑和5-(1,5-二甲基-2-吡咯基)四唑与氯乙酰氯的反应。

  DOI：

  10.1007/s11167-005-0389-6

文献信息

• HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS
  申请人：OWADA Shingo

  公开号：US20080027068A1

  公开（公告）日：2008-01-31

  A compound represented by the formula (1): wherein A is a nitrogen atom or CR 4 , B is an oxygen atom, a sulfur atom or NR 9 (provided that when A is a nitrogen atom, B is not NH), R 1 is a C 2-14 aryl group, L 1 is a bond, CR 10 R 11 , an oxygen atom, a sulfur atom or NR 12 , X is OR 13 , SR 13 or NR 14 NR 15 , R 2 is a hydrogen atom, a formyl group, a C 1-10 alkyl group or the like, L 2 is a bond or the like, L 3 is a bond, CR 17 R 18 , an oxygen atom, a sulfur atom or NR 19 , L 4 is a bond, CR 20 R 21 , an oxygen atom, a sulfur atom or NR 22 , Y is an oxygen atom, a sulfur atom or NR 23 , and R 3 is a C 2-14 aryl group, a tautomer, prodrug or is pharmaceutically acceptable salt of the compound or a solvate thereof.

  化合物的化学式为（1）：其中A是氮原子或CR4，B是氧原子、硫原子或NR9（但当A是氮原子时，B不是NH），R1是C2-14芳基基团，L1是键，CR10R11、氧原子、硫原子或NR12，X是OR13、SR13或NR14NR15，R2是氢原子、甲酰基、C1-10烷基或类似物，L2是键或类似物，L3是键，CR17R18、氧原子、硫原子或NR19，L4是键，CR20R21、氧原子、硫原子或NR22，Y是氧原子、硫原子或NR23，R3是C2-14芳基基团，化合物的互变异构体、前药或药学上可接受的盐或其溶剂。
• Povazanec,F. et al., Collection of Czechoslovak Chemical Communications, 1976, vol. 41, p. 1692 - 1697
  作者：Povazanec,F. et al.

  DOI：——

  日期：——
• SMALL MOLECULES THAT BIND CYCLIN-DEPENDENT KINASE INHIBITOR 1B (P27KIP1)
  申请人：St. Jude Children's Hospital, Inc.

  公开号：US20220177457A1

  公开（公告）日：2022-06-09

  Various compounds and pharmaceutically acceptable salts thereof are provided capable of binding cyclin-dependent kinase inhibitor 1B. The compounds can have a structure according to Formula I or Formula II as detailed herein. The compounds can include SJ747, SJ749, SJ755, SJ757. Pharmaceutical formulations containing the compounds or pharmaceutically acceptable salts are also provided along with methods of use thereof. The formulations and methods can be useful for treating cancer. In some aspects, the cancer is associated with a mislocalization of the intrinsically disordered protein p27. In some aspects, the cancer is resistant to an anticancer therapy. The pharmaceutical formulation can therefore include a second active agent and/or can be given in combination with a second active agent such as a cancer therapeutic. In various aspects, methods of promoting reentry into the cell division cycle in a subject in need thereof using compounds and formulations described herein are also provided.
• US7351841B2
  申请人：——

  公开号：US7351841B2

  公开（公告）日：2008-04-01
• US7576115B2
  申请人：——

  公开号：US7576115B2

  公开（公告）日：2009-08-18