(E)-N'-(benzo[d]thiazol-2-yl)benzamidine | 2522-25-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: (E)-N'-(benzo[d]thiazol-2-yl)benzamidine
• 英文别名: (E)-N'-(1,3-benzothiazol-2-yl)benzimidamide；N'-(1,3-benzothiazol-2-yl)benzenecarboximidamide
• CAS: 2522-25-0
• 化学式: C₁₄H₁₁N₃S
• 分子量: 253.327
• InChiKey: DMYWIOGQTMDHNF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  79.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-(benzo[d]thiazol-2-yl)benzamide 在 ammonium hydroxide 、 copper(II) oxide 作用下， 反应 0.25h， 以74%的产率得到(E)-N'-(benzo[d]thiazol-2-yl)benzamidine
  参考文献：
  名称：

  One-Pot CuO-Catalyzed Green Synthesis of N(N′)-Arylbenzamidines as Potential Enzyme Inhibitors

  摘要：

  Ten N(N ')-arylbenzamidines were synthesized in 60-77% yield by one-pot microwave-assisted reaction of the corresponding N-arylbenzamides with aniline or ammonia in the presence of copper(II) oxide powder. The synthesized compounds were evaluated in vitro for inhibitory activity against several enzymes, namely acetylcholinesterase, butyrylcholinesterase, lipoxygenase, alpha-glucosidase, urease, and reverse transcriptase. Some compounds showed very good acetylcholinesterase and butyrylcholinesterase inhibitory activity. N '-(1,3-Benzothiazol-2-yl)- and N '-(1,3,4-thiadiazol-2-yl)benzamidines were the most active alpha-glucosidase inhibitors with IC50 values of 134.2 and 244.57 mu M, respectively. N '-(1,3-Benzothiazol-2-yl)benzamidine also inhibited urease. Most of the obtained compounds showed inhibitory activity against reverse transcriptase (anti-HIV activity), presumably due to intermolecular hydrogen bonding, good solubility, and hydrophilicity.

  DOI：

  10.1134/s1070428019070224

文献信息

• ELECTROLUMINESCENT METAL COMPLEX
  申请人：Wolleb Annemarie

  公开号：US20100044688A1

  公开（公告）日：2010-02-25

  Metal complexes of the formula I or I′ [LDH] n M[L] m (I) [LTH](M[L] p ) 2 (I1) wherein n is an integer 1 or 2, m and p each is an integer 1 or 2, the sum (n+m) being 2 or 3, M is a metal with an atomic weight of greater than 40 such as Iridium, L is a ligand as described in claim 1 , and LDH is a bidentate ligand of the formula I1 and LTH is a dimer of LDH, binding to 2 metal atoms M, of the formula II′ wherein W is selected from O, S, NR 4 , CR 5 R 6 , X is N or CR 7 , Y is selected from O, S, NR 8 ; and further residues are as defined in claim 1 , show good light emitting efficiency in electroluminescent applications.

  式I或I'的金属配合物[LDH]nM[L]m(I)[LTH](M[L]p)2(I1)，其中n是整数1或2，m和p各自是整数1或2，和(n+m)为2或3，M是原子量大于40的金属，例如铱，L是如权利要求1所述的配体，LDH是式I1的双齿配体，LTH是LDH的二聚体，与式II'中的2个金属原子M配位，其中W选自O，S，NR4，CR5R6，X为N或CR7，Y选自O，S，NR8；而其他残基如权利要求1所定义，这些配合物在电致发光应用中表现出良好的发光效率。
• US9284278B2
  申请人：——

  公开号：US9284278B2

  公开（公告）日：2016-03-15
• [EN] ELECTROLUMINESCENT METAL COMPLEX<br/>[FR] COMPLEXE MÉTALLIQUE ÉLECTROLUMINESCENT
  申请人：CIBA HOLDING INC

  公开号：WO2008098851A1

  公开（公告）日：2008-08-21

  [EN] Metal complexes of the formula I or I' [LDH]_n M [L]_m (I) [LTH] (M [L]_p)₂ (I1) wherein n is an integer 1 or 2, m and p each is an integer 1 or 2, the sum (n+m) being 2 or 3, M is a metal with an atomic weight of greater than 40 such as Iridium, L is a ligand as described in claim 1, and LDH is a bidentate ligand of the formula Il and LTH is a dimer of LDH, binding to 2 metal atoms M, of the formula II' wherein W is selected from O, S, NR₄, CR₅R₆, X is N or CR₇, Y is selected from O, S, NR₈; and further residues are as defined in claim 1, show good light emitting efficiency in electroluminescent applications.
  [FR] Complexes métalliques de formule I ou I' [LDH]_nM[L]_m (I) [LTH](M[L]_p)₂ (I') dans lesquelles n est un nombre entier valant 1 ou 2, m et p sont chacun un nombre entier valant 1 ou 2, la somme (n+m) valant 2 ou 3, M est un métal ayant une masse atomique supérieure à 40 tel que l'iridium, L est un ligand tel que décrit dans la revendication 1 et LDH est un ligand bidentate de formule II et LTH est un dimère de LDH, liant 2 atomes du métal M, de formule II' dans lesquelles W est sélectionné parmi O, S, NR₄ et CR₅R₆, X est N ou CR₇, Y est sélectionné parmi O, S et NR₈ ; et les autres résidus sont tels que définis dans la revendication 1, lesquels présentent un bon rendement d'émission de lumière dans des applications électroluminescentes.