4,5-二乙基-4H-1,2,4-三唑-3-硫醇 | 29448-78-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 4,5-二乙基-4H-1,2,4-三唑-3-硫醇
• 中文别名: 4,5-二乙基-2H-1,2,4-三唑-3-硫酮；4,5-二乙基-4H-1,2,4-噻唑-3-硫醇
• 英文名称: 4,5-diethyl-4H-1,2,4-triazole-3-thiol
• 英文别名: 4,5-Diethyl-3-mercapto-4H-triazol；4,5-Diethyl-4H-<1,2,4>triazol-3-thiol；4,5-diethyl-2,4-dihydro-[1,2,4]triazole-3-thione；3,4-diethyl-1H-1,2,4-triazole-5-thione
• CAS: 29448-78-0
• 化学式: C₆H₁₁N₃S
• mdl: MFCD03423405
• 分子量: 157.239
• InChiKey: ZOZYDHORRSFYSJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 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：
  59.7
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  2-chloro-N-(5-(4-cyanophenyl)-1,3,4-thiadiazol-2-yl)acetamide 、 4,5-二乙基-4H-1,2,4-三唑-3-硫醇 在 三乙胺 作用下， 以 乙腈 为溶剂， 反应 6.0h， 以78%的产率得到N-[5-(4-cyanophenyl)-1,3,4-thiadiazol-2-yl]-2-[(4,5-diethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
  参考文献：
  名称：

  [EN] COMPOUNDS FOR MODULATING AQUAPORINS
  [FR] COMPOSÉS POUR MODULER LES AQUAPORINES

  摘要：

  该发明涉及公式（I）化合物、其药物组合物以及调节水通道蛋白9的方法。

  公开号：

  WO2017186893A1

文献信息

• Compounds for modulating aquaporins
  申请人：APOGLYX AB

  公开号：US10730865B2

  公开（公告）日：2020-08-04

  The invention relates to compounds of formula (I) pharmaceutical compositions thereof and methods for modulating aquaporin 9.

  本发明涉及式（I）化合物及其药物组合物以及调节水汽素 9 的方法。
• COMPOUNDS FOR MODULATING AQUAPORINS
  申请人：Apoglyx AB

  公开号：EP3448853B1

  公开（公告）日：2021-11-17
• COMPOUNDS FOR USE IN STABILIZING P53 MUTANTS
  申请人：Boeckler Frank

  公开号：US20110059953A1

  公开（公告）日：2011-03-10

  Compounds of formula (I): wherein X is selected from CR X and N; R N1 is selected from H and C 1-4 alkyl, which may be substituted by SH or halo; R G1 is selected from H and SH; R C2 is selected from H and optionally substituted C 1-7 alkyl; R C3 is selected from H and optionally substituted C 1-7 alkyl; R x is selected from H, OH and NH 2 ; R C4 is selected from: (i) an optionally substituted C 3-12 N-containing heterocyclyl; (ii) C(═O)NR N5 R N6 , where R N5 and R N6 are independently selected from H, optionally substituted C 1-7 alkyl, optionally substituted C 3-20 heterocyclyl and optionally substituted C 5-20 aryl or RN5 and RN6 and the nitrogen atom to which they are attached form an optionally substituted N-containing C 5-7 heterocyclyl group; (iii) C(═O)OR O1 , where R O1 is selected from H, optionally substituted C 1-7 alkyl, optionally substituted C 3-20 heterocyclyl and optionally substituted C 5-20 aryl; (iv) C(═O)NHNHSO 2 R S1 , where R S1 is selected from H, optionally substituted C 1-7 alkyl, optionally substituted C 3-20 heterocyclyl and optionally substituted C 5-20 aryl; (v) OC(═O)RC8, where RC8 is selected from H, optionally substituted C 1-7 alkyl, optionally substituted C 3-20 heterocyclyl and optionally substituted C 5-20 aryl; (vi) OC(═O)NR N7 R N8 , where R N7 and R N8 are independently selected from H, optionally substituted C 1-7 alkyl, optionally substituted C 3-20 heterocyclyl and optionally substituted C 5-20 aryl or R N7 and R N8 and the nitrogen atom to which they are attached form an optionally substituted N-containing C 5-7 heterocyclyl group; and (vii) C(═O)CH 2 NH C(═O)NHNH 2 , CHC(CN) 2 , CHC(CN)C(═O)NH 2 , and carboxy; R C5 is selected from H, OH and NH 2 ; or R C4 and R C5 together with the carbon atoms to which they are bound form an optionally substituted aromatic ring containing either 5 or 6 ring atoms, of formula: where Q represents O, N, or CR Q1 ═CR Q2 , where R Q1 and R Q2 are independently selected from H, OH and NH 2 ; R C6 is selected from H, OH and NH 2 ; and R C7 is selected from optionally substituted C3_12 N-containing heterocyclyl, NHC(═O)R C9 , CH 2 NR N2 R N3 and NHC(═S)NHR N4 , where R C9 is selected from optionally substituted C 1-7 alkyl, optionally substituted C 3-20 heterocyclyl and optionally substituted C 5-20 aryl, R N2 and R N3 are independently selected from H, optionally substituted C 1-7 alkyl, optionally substituted C 3-20 heterocyclyl and optionally substituted C 5-20 aryl or R N2 and R N3 and the nitrogen atom to which they are attached form an optionally substituted N-containing C 5-7 heterocyclyl group, and R N4 is selected from optionally substituted C 1-7 alkyl, optionally substituted C 3-20 heterocyclyl and optionally substituted C 5-20 aryl, and when R C4 and R C5 are not bound together, R C3 may additionally be selected from OR 02 , where R O2 is a C 1-4 alkyl group, and C(═O)OR O3 , where R O3 is a C 1-4 alkyl group and R C2 may additionally be selected from halo, for use in stabilising a p53 protein carrying a Y220C mutation.
• US3968226A
  申请人：——

  公开号：US3968226A

  公开（公告）日：1976-07-06
• US3985739A
  申请人：——

  公开号：US3985739A

  公开（公告）日：1976-10-12