1-(3-hydroxyphenyl)guanidine hydrochloride | 24067-09-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 1-(3-hydroxyphenyl)guanidine hydrochloride
• 英文别名: 3'-hydroxyphenyl guanidine hydrochloride；hydron;2-(3-hydroxyphenyl)guanidine;chloride
• CAS: 24067-09-2
• 化学式: C₇H₉N₃O*ClH
• 分子量: 187.629
• InChiKey: XLNZBPWASSFUDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.72
• 重原子数：
  12
• 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：
  84.6
• 氢给体数：
  4
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (E)-1-(7-chloro-1-ethyl-1H-pyrrolo[2,3-c]pyridin-3-yl)-3-(dimethylamino)prop-2-en-1-one 、 1-(3-hydroxyphenyl)guanidine hydrochloride 生成 3-(4-(7-chloro-1-ethyl-1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-ylamino)phenol
  参考文献：
  名称：

  KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS

  摘要：

  本文描述了一些蛋白激酶抑制剂化合物。还描述了包括这些化合物的药物组合物和药物。此外，还描述了使用这些蛋白激酶抑制剂的方法，单独或与其他化合物联合使用，用于介导或依赖于蛋白激酶的疾病或病症。

  公开号：

  US20110263541A1
• 作为产物：
  描述：

  氰胺 、 盐酸间氨基酚 生成 1-(3-hydroxyphenyl)guanidine hydrochloride
  参考文献：
  名称：

  Synthesis and structure-activity study of protease inhibitors. III. Amidinophenols and their benzoil esters.

  摘要：

  多种amidinophenol衍生物（27-47）及其苯甲酸酯（4-26）被合成并评估了它们对胰蛋白酶、纤溶酶、激肽释放酶、凝血酶、Clr和Cls的抑制活性，以及体外补体介导的溶血作用。4-（β-脒基乙烯基）苯基4-胍基苯甲酸酯（15）和4-脒基-2-苯甲酰苯基4-胍基苯甲酸酯（26）被发现具有强大的抑制活性，前者的IC50值为9×10-8M（胰蛋白酶）和2×10-7M（Cls），后者的IC50值为3×10-8M（胰蛋白酶）和2×10-7M（Cls）。

  DOI：

  10.1248/cpb.32.4466

文献信息

• [EN] KINASE INHIBITORS AND THEIR USE AS PHARMACEUTICAL AGENTS<br/>[FR] INHIBITEURS DE KINASE ET LEUR UTILISATION EN TANT QU'AGENTS PHARMACEUTIQUES
  申请人：SHANGHAI GENOMICS INC

  公开号：WO2010051781A1

  公开（公告）日：2010-05-14

  Described herein are compounds that are inhibitors of one or more protein kinases. Also described are pharmaceutical compositions and medicaments that include the compounds described herein. Also described herein are methods of using such protein kinase inhibitors, alone and in combination with other compounds, for conditions or diseases mediated or dependent upon protein kinases.

  本文描述了一些抑制一个或多个蛋白激酶的化合物。还描述了包括本文所述化合物的药物组合物和药物。本文还描述了使用这些蛋白激酶抑制剂的方法，单独或与其他化合物结合，用于受蛋白激酶介导或依赖的疾病或病症。
• PYRIMIDINES, TRIAZINES AND THEIR USE AS PHARMACEUTICAL AGENTS
  申请人：Wang Shudong

  公开号：US20110092490A1

  公开（公告）日：2011-04-21

  A compound of formula (I) and its pharmaceutically acceptable salts or solvates and physiologically hydrolysable, solubilising or immobilisable derivatives wherein: Ar is a 5-membered heteroaryl ring wherein X 1 and X 2 are one or two heteroatoms or Ar is a 6-membered aromatic ring, wherein heteroatoms are selected from S, O, N, Se; Z is NH, NHCO, NHSO 2 , N-alkyl, CH 2 NH, CH 2 N-alkyl, CH 2 , CH 2 CH 2 , CH═CH, CH 2 CONH, SO 2 , or SO; Y is N CR 3 ; R 1 , R 2 , R 5 , R 6 , R 7 , R 8 and R 9 are each independently H, or a substituent; R 3 , when present, is selected from alkyl and a substituent, with the proviso that when Y is CR 3 , Ar is a 5-membered heterocycle comprising one or two N heteroatoms and Z is NH, then R3 is selected from C 3+ alkyl and a substituent; R 4 is selected from H, alkyl and R 13 as hereinbefore defined, with the proviso that when R 3 is absent, R 4 is selected from alkyl and a substituent; processes for the preparation thereof, intermediates and precursors therefore and the use thereof as a medicament, and therapeutic compositions comprising the compound.

  化合物式（I）及其药学上可接受的盐或溶剂化合物和生理水解、溶解或固定化衍生物，其中：Ar是一个5元杂环芳基环，其中X1和X2是一个或两个杂原子，或Ar是一个6元芳香环，其中杂原子选自S、O、N、Se；Z是NH、NHCO、NHSO2、N-烷基、 H、CH2N-烷基、CH2、 、CH═CH、 CONH、SO2或SO；Y是N CR3；R1、R2、R5、R6、R7、R8和R9各自独立地为H或取代基；R3在存在时，选自烷基和取代基，但当Y为CR3，Ar为一个包含一个或两个N杂原子的5元杂环，并且Z为NH时，R3选自C3+烷基和取代基；R4选自H、烷基和如上所述的R13，但当R3不存在时，R4选自烷基和取代基；其制备方法、中间体和前体以及作为药物的用途和包含该化合物的治疗组合物。
• Kinase inhibitors and their use as pharmaceutical agents
  申请人：Shanghai Genomics, Inc.

  公开号：US08309550B2

  公开（公告）日：2012-11-13

  Described herein are compounds that are inhibitors of one or more protein kinases. Also described are pharmaceutical compositions and medicaments that include the compounds described herein. Also described herein are methods of using such protein kinase inhibitors, alone and in combination with other compounds, for conditions or diseases mediated or dependent upon protein kinases.

  本文描述了一些蛋白激酶抑制剂化合物。还描述了包括上述化合物的药物组合物和药物。本文还描述了使用这种蛋白激酶抑制剂的方法，单独或与其他化合物结合，用于介导或依赖于蛋白激酶的疾病或病症。
• Preparation of substituted N-phenyl-4-aryl-2-pyrimidinamines as mediator release inhibitors
  作者：Rolf Paul、William A. Hallett、John W. Hanifin、Marvin F. Reich、Bernard D. Johnson、Robert H. Lenhard、John P. Dusza、Suresh S. Kerwar、Yang I Lin

  DOI：10.1021/jm00071a002

  日期：1993.9

  The role of immunologically released mediators, such as histamine, leukotrienes, and platelet-activating factor, is well-established for asthma and other allergic disorders. Developing therapeutic agents which would block mediator release from mast cells and other relevant cell types would provide a rational approach to asthma therapy. Using human basophil as a screen, a series of 4-aryl-2-(phenylamino)pyrimidines was found which inhibited mediator release. These compounds were prepared by condensing acetyl heterocycles with dimethylformamide dimethyl acetal to form enaminones which are cyclized with aryl guanidines to give pyrimidines. After examining a large number of analogs, N-[3-(1H-imidazol-1-yl)phenyl]-4-(2-pyridinyl)-2-pyrimidinamine (1-27) was chosen for toxicological evaluation.
• US3976787A
  申请人：——

  公开号：US3976787A

  公开（公告）日：1976-08-24