3-氯苯基胍 | 6145-41-1

• 物质功能分类: 化学试剂 - 有机试剂 - 胍盐
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-氯苯基胍
• 中文别名: 1-(3-氯苯基)胍
• 英文名称: 3-chlorophenylguanidine
• 英文别名: (3-Chlorophenyl)guanidine；1-(3-chlorophenyl)guanidine；N-(3-chlorophenyl)guanidine；mCPG；(3-chloro-phenyl)-guanidine；(3-Chlor-phenyl)-guanidin；2-(3-chlorophenyl)guanidine
• CAS: 6145-41-1
• 化学式: C₇H₈ClN₃
• 分子量: 169.614
• InChiKey: DWLMIHRZURMFAQ-UHFFFAOYSA-N

物化性质

• 熔点：
  206 °C(Solv: ethanol, 95% (64-17-5))
• 沸点：
  263.6±42.0 °C(Predicted)
• 密度：
  1.36±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  64.4
• 氢给体数：
  2
• 氢受体数：
  1

安全信息

• 海关编码：
  2925290090

反应信息

• 作为反应物：
  描述：

  lichochalcone-A 、 3-氯苯基胍 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 6.0h， 以47.97%的产率得到4-(3-(3-chlorophenyl)-6-(4-hydroxyphenyl)-2-imino-2,3,4,5-tetrahydropyrimidin-4-yl)-5-methoxy-2-(2-methylbut-3-en-2-yl)phenol
  参考文献：
  名称：

  一类具抗肿瘤活性的甘草查尔酮A二氢氨基嘧啶类化合物及其合成方法

  摘要：

  本发明公开了一类具有抗肿瘤活性的甘草查尔酮A二氢氨基嘧啶类化合物及其合成方法，该类化合物以甘草查尔酮A、胍类化合物为原料，在乙醇作为溶剂下反应合成得到。该方法操作安全性高，反应条件温和，适用于工业化生产。经初步生物活性测试表明该类型化合物有较好的抗肿瘤活性，可用于抗肿瘤先导化合物的研究。

  公开号：

  CN106674129A
• 作为产物：
  描述：

  氰胺 、 3-氯苯胺 在 硝酸 作用下， 以 乙醇 、 水 为溶剂， 生成 3-氯苯基胍
  参考文献：
  名称：

  Identification of pyrimidine derivatives as hSMG-1 inhibitors

  摘要：

  hSMG-1 kinase plays a dual role in a highly conserved RNA surveillance pathway termed nonsense-mediated RNA decay (NMD) and in cellular genotoxic stress response. Since deregulation of cellular responses to stress contributes to tumor growth and resistance to chemotherapy, hSMG-1 is a potential target for cancer treatment. From our screening efforts, we have identified pyrimidine derivatives as hSMG-1 kinase inhibitors. We report structure-based optimization of this pan-kinase scaffold to improve its biochemical profile and overall kinome selectivity, including mTOR and CDK, to generate the first reported selective hSMG-1 tool compound. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.08.107

文献信息

• Protein kinase inhibitors and uses thereof
  申请人：——

  公开号：US20040009996A1

  公开（公告）日：2004-01-15

  Described herein are benzisoxazole compounds of formula I: 1 or a pharmaceutically acceptable derivative or prodrug thereof, wherein A-B is N—O or O—N; Ar is an optionally substituted C 5-10 aryl group; R 1 is hydrogen or an optionally substituted group selected from C 1-10 aliphatic, C 5-10 aryl, C 6-12 aralkyl, C 3-10 heterocyclyl, or C 4-12 heterocyclylalkyl; and T, n, R 2 and R 3 are as described in the specification. These compounds are inhibitors of protein kinases, particularly inhibitors of GSK-3 and JAK mammalian protein kinases. The invention also provides pharmaceutically acceptable compositions comprising the compounds of the invention and methods of utilizing those compounds and compositions in the treatment of various protein kinase mediated disorders.

  本文描述了公式I的苯并异噁唑化合物： 其中A-B为N—O或O—N；Ar为可选择取代的C 5-10 芳基；R 1 为氢或从C 1-10 脂肪族、C 5-10 芳基、C 6-12 芳基烷基、C 3-10 杂环基或C 4-12 杂环基烷基中选择的可选择取代基；T、n、R 2 和R 3 如规范中所述。这些化合物是蛋白激酶的抑制剂，特别是GSK-3和JAK哺乳动物蛋白激酶的抑制剂。本发明还提供了包括本发明化合物的药学上可接受的组合物，以及利用这些化合物和组合物治疗各种蛋白激酶介导的疾病的方法。
• [EN] METABOTROPIC GLUTAMATE RECEPTOR MODULATORS<br/>[FR] MODULATEURS DES RÉCEPTEURS GLUTAMATERGIQUES MÉTABOTROPES
  申请人：MERZ PHARMA GMBH & CO KGAA

  公开号：WO2012085167A1

  公开（公告）日：2012-06-28

  The invention relates to heterocyclic derivatives as well as their pharmaceutically acceptable salts. The invention further relates to a process for the preparation of such compounds. The compounds of the invention are m GluR5 modulators and are therefore useful for the control and prevention of acute and/or chronic neurological disorders.

  这项发明涉及杂环衍生物及其药用可接受的盐。该发明还涉及一种制备这类化合物的方法。该发明的化合物是mGluR5调节剂，因此对于控制和预防急性和/或慢性神经系统疾病是有用的。
• Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases
  申请人：——

  公开号：US20030087922A1

  公开（公告）日：2003-05-08

  The present invention provide a compound of formula I or II: 1 or a pharmaceutically acceptable derivative thereof, wherein R 1 , R 2 , R 3 , and R 4 are as described in the specification. These compounds are inhibitors of protein kinase, particularly inhibitors of JNK, a mammalian protein kinase involved cell proliferation, cell death and response to extracellular stimuli; and Src-family kinases, especially Src and Lck kinases. These compounds are also inhibitors of GSK3 and CDK2 kinases. The invention also relates to methods for producing these inhibitors. The invention also provides pharmaceutical compositions comprising the inhibitors of the invention and methods of utilizing those compositions in the treatment and prevention of various disorders.

  本发明提供了化合物I或II的化合物： 或其药学上可接受的衍生物，其中R 1 ，R 2 ，R 3 和R 4 如规范中所述。这些化合物是蛋白激酶的抑制剂，特别是JNK的抑制剂，JNK是一种参与细胞增殖、细胞死亡和对细胞外刺激反应的哺乳动物蛋白激酶；以及Src家族激酶，特别是Src和Lck激酶。这些化合物还是GSK3和CDK2激酶的抑制剂。本发明还涉及生产这些抑制剂的方法。本发明还提供了包括本发明的抑制剂的药物组合物以及利用这些组合物在治疗和预防各种疾病中的方法。
• [EN] SUBSTITUTED TRIAZINE KINASE INHIBITORS<br/>[FR] INHIBITEURS DES KINASES A BASE DE TRIAZINE SUBSTITUEE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2004009562A1

  公开（公告）日：2004-01-29

  The present invention provides substituted 1,3,5-triazine compounds as kinase inhibitors and a method for treating or ameliorating a kinase mediated disorder.

  本发明提供了替代的1,3,5-三嗪化合物作为激酶抑制剂，并提供了一种治疗或改善激酶介导的疾病的方法。
• Imidazolo-5-YL-2anilino-pyrimidines as agents for the inhibition of the cell proliffration
  申请人：——

  公开号：US20040014776A1

  公开（公告）日：2004-01-22

  Compounds of the formula (I): wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , p, q, and n are as defined within and a pharmaceutically acceptable salts and in vivo hydrolysable esters are described. Also described are processes for their preparation and their use as medicaments, particularly medicaments for producing a cell cycle inhibitory (anti-cell-proliferation) effect in a warm-blooded animal, such as man.

  该公式化合物（I）：其中R1、R2、R3、R4、R5、R6、p、q和n的定义如下，并描述了其药用盐和体内可水解酯。还描述了它们的制备过程以及它们作为药物的用途，特别是作为用于在温血动物（如人）中产生细胞周期抑制（抗细胞增殖）作用的药物。