1,2-乙二胺,N-(2-氯苯基)- | 14088-82-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 1,2-乙二胺,N-(2-氯苯基)-
• 英文名称: N-(2-Chlorophenyl)-1,2-ethanediamine
• 英文别名: N'-(2-chloro-phenyl)-ethane-1,2-diamine；N-(2-chlorophenyl)-ethylenediamine；2-(2-chlorophenylamino)-ethylamine；N-(2-chlorophenyl)ethylenediamine；N'-(2-chlorophenyl)ethane-1,2-diamine
• CAS: 14088-82-5
• 化学式: C₈H₁₁ClN₂
• 分子量: 170.642
• InChiKey: OQCSRYZCNUIIEL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  38
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,2-乙二胺,N-(2-氯苯基)- 生成 tert-butyl (2-(2-bromo-5-chloro-N-(2-chlorophenyl) benzamido)ethyl)carbamate
  参考文献：
  名称：

  INHIBITORS OF NITRIC OXIDE SYNTHASES (NOS), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF

  摘要：

  The present invention provides NOS inhibitors such as iNOS inhibitors, or a pharmaceutically acceptable salt, ester, prodrug, complex, solvate, hydrate, or isomer thereof, in any crystalline form or in amorphous form. The inhibitors include 1,1 or 1,2 substituted-ethyl carbamimido thioates, cyclic compounds substituted with a carbamimidoyl sulfanylethylphenyl group and a carbamimidoylsulfanyl group, compounds substituted with a carbamimidoyl sulfanylethyl phenylmethyl group, bis-carbamimidoylsulfanylethyl substituted compounds, 2-propoxypyridine derivatives, alkylamine or heteroalkylamine derivatives, n-aminoethyl n-phenyl amine derivatives, and saturated heterocyclic fused benzene derivatives. Pharmaceutical products comprising the NOS inhibitors such as iNOS inhibitors and the applications thereof in prophylaxis and/or treatment of inflammatory diseases, and proliferative diseases such as cancer including gastro-intestinal, colorectal, gynecological, pancreatic, head and neck, esophageal, breast, lung, and central nervous system tumors, among others, are also provided.

  公开号：

  US20230286913A1
• 作为产物：
  描述：

  2-唑烷酮 、 邻氯苯胺盐酸盐 以67 %的产率得到1,2-乙二胺,N-(2-氯苯基)-
  参考文献：
  名称：

  INHIBITORS OF NITRIC OXIDE SYNTHASES (NOS), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF

  摘要：

  The present invention provides NOS inhibitors such as iNOS inhibitors, or a pharmaceutically acceptable salt, ester, prodrug, complex, solvate, hydrate, or isomer thereof, in any crystalline form or in amorphous form. The inhibitors include 1,1 or 1,2 substituted-ethyl carbamimido thioates, cyclic compounds substituted with a carbamimidoyl sulfanylethylphenyl group and a carbamimidoylsulfanyl group, compounds substituted with a carbamimidoyl sulfanylethyl phenylmethyl group, bis-carbamimidoylsulfanylethyl substituted compounds, 2-propoxypyridine derivatives, alkylamine or heteroalkylamine derivatives, n-aminoethyl n-phenyl amine derivatives, and saturated heterocyclic fused benzene derivatives. Pharmaceutical products comprising the NOS inhibitors such as iNOS inhibitors and the applications thereof in prophylaxis and/or treatment of inflammatory diseases, and proliferative diseases such as cancer including gastro-intestinal, colorectal, gynecological, pancreatic, head and neck, esophageal, breast, lung, and central nervous system tumors, among others, are also provided.

  公开号：

  US20230286913A1

文献信息

• [EN] PYRROLE mTORC INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS PYRROLES DE MTORC ET LEURS UTILISATIONS
  申请人：NAVITOR PHARM INC

  公开号：WO2018089493A1

  公开（公告）日：2018-05-17

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用这些化合物的方法。
• Triamine derivatives and their acid-addition salts
  申请人：SUMITOMO PHARMACEUTICALS COMPANY, LIMITED

  公开号：EP0443862A1

  公开（公告）日：1991-08-28

  A triamine derivative of the formula (I) wherein Ar¹ and Ar² are carbocyclic or heterocyclic single ring or fused ring aromatic groups, R¹, R² and R³ are hydrogen, lower alkyl, aryl aryl-alkyl, aryl-alkyloxycarbonyl, alkyloxycarbonyl or acyl, and A¹ and A² are lower alkylene groups optionally substituted by oxo, exhibits a high N-methyl-D-aspartic acid (NMDA) receptor antagonistic effect and are therefore useful as a medicine for nerve degeneration diseases.

  式(I)的三胺衍生物，其中Ar¹和Ar²是碳环或杂环的单环或融合环芳香基团，R¹、R²和R³是氢、低碳基、芳基芳基-烷基、芳基-烷氧羰基、烷氧羰基或酰基，A¹和A²是可选择地被氧代取代的低碳烯基基团，表现出高N-甲基-D-天冬氨酸（NMDA）受体拮抗作用，因此可用作治疗神经退行性疾病的药物。
• Crystal structure, antitumour and antimetastatic activities of disubstituted fused 1,2,4-triazinones
  作者：Krzysztof Sztanke、Kazimierz Pasternak、Małgorzata Sztanke、Martyna Kandefer-Szerszeń、Anna E. Kozioł、Izabela Dybała

  DOI：10.1016/j.bmcl.2009.07.036

  日期：2009.9

  4]triazin-4(6H)-ones (8–14) was confirmed by X-ray crystallography of 14. All the compounds were evaluated for their antitumour and antimetastatic activities in vitro. Furthermore, their cytotoxicities towards human normal cell line—HSF cells were established, allowing us to point out some structure–activity relationships. Among them, imidazotriazinone 12, revealing remarkable dose-dependent viability decreases in human

  的分子结构3,8-二取代的-7,8-二氢咪唑并[2,1- c ^ ] [1,2,4]三嗪-4（6 ħ） -酮（8 - 14）通过的X射线晶体学确认14。评估了所有化合物的体外抗肿瘤和抗转移活性。此外，还建立了它们对人类正常细胞系HSF细胞的细胞毒性，这使我们指出了一些结构与活性之间的关系。其中，咪唑三嗪酮12在人骨髓瘤RPMI 8226细胞中显示出显着的剂量依赖性生存力降低，被发现对正常HSF细胞完全无毒。此外，杂环自行车8 – 12 被证明在动力试验中显示出显着的抗转移潜力。
• Design, Synthesis and Biological Evaluation of Novel 1,3,5-Triazines: Effect of Aromatic Ring Decoration on Affinity to 5-HT7 Receptor
  作者：Damian Kułaga、Anna Karolina Drabczyk、Grzegorz Satała、Gniewomir Latacz、Anna Boguszewska-Czubara、Damian Plażuk、Jolanta Jaśkowska

  DOI：10.3390/ijms232113308

  日期：——

  substituents at aromatic rings on biological activity. The tested compounds showed high affinity to the 5-HT7 receptor, particularly ligands N2-(2-(5-fluoro-1H-indol-3-yl)ethyl)-N4-phenethyl-1,3,5-triazine-2,4,6-triamine 2 (Ki = 8 nM) and N2-(2-(1H-indol-3-yl)ethyl)-N4-(2-((4-fluorophenyl)amino)ethyl)-1,3,5-triazine-2,4,6-triamine 12 (Ki = 18 nM) which showed moderate metabolic stability, and affinity to the

  考虑到 5-HT 7受体的关键功能，特别是在精神病学中，以及有效和选择性的 5-HT 7受体配体尚未可用的事实，在这项工作中，我们设计并合成了新的 1,3,5-三嗪衍生物特别是基于评估芳环上的取代基对生物活性的影响。测试的化合物对 5-HT 7受体，尤其是配体 N 2 -(2-(5-fluoro-1H-indol-3-yl)ethyl)-N 4 -phenethyl-1,3,5-triazine表现出高亲和力-2,4,6-三胺2 ( K i = 8 nM) 和 N 2 -(2-(1H-indol-3-yl)ethyl)-N 4-(2-((4-氟苯基)氨基)乙基)-1,3,5-三嗪-2,4,6-三胺12 ( K i = 18 nM) 表现出适度的代谢稳定性和对 CYP3A4 同工酶的亲和力. 至于肝毒性评估，受试化合物仅在浓度高于 50 µM 时显示出中等的细胞毒性。化合物12在斑马鱼体内模型中表现出比2更小的心脏毒性作用。
• Novel 1-(1-Arylimiazolin-2-Yl)-3-Arylalkilurea Derivatives with Modulatory Activity on Opioid MOP Receptors
  作者：Dominik Straszak、Sylwia Woźniak、Agata Siwek、Monika Głuch-Lutwin、Marcin Kołaczkowski、Aldona Pietrzak、Bartłomiej Drop、Dariusz Matosiuk

  DOI：10.3390/molecules29030571

  日期：——

  designation of new directions of research with respect to compounds with analgesic effects in a mechanism different from classical ligands. Allosteric modulation is an extremely promising line of research. Compounds with modulator properties may provide a safer alternative to the currently used opioids. The aim of our research was to obtain a series of urea derivatives of 1-aryl-2-aminoimidazoline and

  μ-阿片受体配体，例如吗啡和芬太尼，是最知名、最有效的止痛药。然而，使用它们所带来的严重副作用极大地限制了它们的广泛使用。关于 MOP 受体（人 mu 阿片受体，OP3）与配体和特定细胞内信号通路相互作用特性的不断扩大的知识，允许为以不同机制具有镇痛作用的化合物指定新的研究方向。来自经典配体。变构调节是一个非常有前途的研究方向。具有调节剂特性的化合物可以为目前使用的阿片类药物提供更安全的替代品。我们的研究目的是获得一系列1-芳基-2-氨基咪唑啉的脲衍生物，并确定它们的活性、生物作用机制以及对MOP受体的选择性。获得的化合物在体外进行功能测试（cAMP 积累和 β-arrestin 募集）。所获得的其中一种化合物单独给药时没有表现出任何生物活性，而与 DAMGO 共同给药时，它抑制了 β-抑制蛋白的募集。这些结果表明该化合物是人类 MOP 受体的负变构调节剂 (NAM)。