5-氯-2-甲基嘧啶-4-胺 | 438249-95-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 5-氯-2-甲基嘧啶-4-胺
• 中文别名: 5-氯-2-甲基-4-嘧啶胺
• 英文名称: 5-chloro-2-methylpyrimidin-4-amine
• 英文别名: 5-chloro-2-methyl-pyrimidin-4-ylamine；5-Chlor-2-methyl-pyrimidin-4-ylamin；4-amino-5-chloro-2-methylpyrimidine
• CAS: 438249-95-7
• 化学式: C₅H₆ClN₃
• mdl: MFCD02728621
• 分子量: 143.576
• InChiKey: OJQYZICTUHBDSJ-UHFFFAOYSA-N

物化性质

• 熔点：
  145-146 °C
• 沸点：
  240.6±20.0 °C(Predicted)
• 密度：
  1.349±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  51.8
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933599090
• 危险性防范说明：
  P280,P305+P351+P338,P310
• 危险性描述：
  H302,H315,H319,H332,H335

反应信息

• 作为反应物：
  描述：

  4-氯-2-(3-吡啶)-6-(三氟甲基)嘧啶 、 5-氯-2-甲基嘧啶-4-胺 生成 4-(5-Chloro-2-methyl-pyrimidin-4-ylamino)-2-(3-pyridinyl)-6-trifluoromethylpyrimidine
  参考文献：
  名称：

  Substituted 2-aryl-4-arylaminopyrimidines and analogs as activators or caspases and inducers of apoptosis and the use thereof

  摘要：

  本发明涉及取代的2-芳基-4-芳氨基嘧啶及其类似物，由通式I表示：其中A、Ar1、Ar2、R1和R3如本文所定义。本发明还涉及发现具有通式I的化合物是caspases的激活剂和凋亡诱导剂。本发明的化合物可用于在各种临床情况下诱导细胞死亡，其中发生异常细胞的不受控制的生长和扩散。

  公开号：

  US20030069239A1
• 作为产物：
  描述：

  5-chloro-2-methyl-pyrimidine-4-carboxylic acid amide 在 sodium hypochlorite 作用下， 生成 5-氯-2-甲基嘧啶-4-胺
  参考文献：
  名称：

  Budesinsky, Collection of Czechoslovak Chemical Communications, 1949, vol. 14, p. 223,228

  摘要：

  DOI：

文献信息

• Substituted 2-aryl-4-arylaminopyrimidines and analogs as activators or caspases and inducers of apoptosis and the use thereof
  申请人：Cytovia, Inc.

  公开号：US20030069239A1

  公开（公告）日：2003-04-10

  The present invention is directed to substituted 2-aryl-4-arylaminopyrimidine and analogs thereof, represented by the general Formula I: 1 wherein A, Ar 1 , Ar 2 , R 1 and R 3 are defined herein. The present invention also relates to the discovery that compounds having Formula I are activators of caspases and inducers of apoptosis. The compounds of this invention may be used to induce cell death in a variety of clinical conditions in which uncontrolled growth and spread of abnormal cells occurs.

  本发明涉及被一般式I所代表的取代的2-芳基-4-芳基氨基嘧啶及其类似物： 其中A，Ar1，Ar2，R1和R3在此处被定义。本发明还涉及发现具有式I的化合物是caspase的激活剂和凋亡诱导剂。本发明的化合物可用于诱导在出现未受控制的异常细胞生长和扩散的各种临床病况中的细胞死亡。
• PROCESS FOR PREPARING 2-AMINOTHIAZOLE-5-AROMATIC CARBOXAMIDES AS KINASE INHIBITORS
  申请人：Chen Bang-Chi

  公开号：US20090149650A1

  公开（公告）日：2009-06-11

  The invention relates to processes for preparing compounds having the formula, and crystalline forms thereof, wherein Ar is aryl or heteroaryl, L is an optional alkylene linker, and R 2 , R 3 , R 4 , and R 5 , are as defined in the specification herein, which compounds are useful as kinase inhibitors, in particular, inhibitors of protein tyrosine kinase and p38 kinase.

  本发明涉及制备具有以下公式及其结晶形式的化合物的方法，其中Ar是芳基或杂环芳基，L是可选的烷基链，R2、R3、R4和R5如本说明书中所定义的，这些化合物可用作激酶抑制剂，特别是蛋白酪氨酸激酶和p38激酶的抑制剂。
• [EN] PROCESS FOR PREPARING 2-AMINOTHIAZOLE-5-AROMATIC CARBOXAMIDES AS KINASE INHIBITORS<br/>[FR] PROCEDE DE PREPARATION DE CARBOXAMIDES 2-AMINOTHIAZOLE-5-AROMATIQUES UTILES COMME INHIBITEURS DE KINASES
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2005077945A2

  公开（公告）日：2005-08-25

  The invention relates to processes for preparing compounds having the formula (I) and crystalline forms thereof, wherein Ar is aryl or heteroaryl, L is an optional alkylene linker, and R2, R3, R4, and R5, are as defined in the specification herein, which compounds are useful as kinase inhibitors, in particular, inhibitors of protein tyrosine kinase and p38 kinase.

  本发明涉及制备具有公式（I）和其晶体形式的化合物的过程，其中Ar是芳基或杂环芳基，L是可选的烷基连接物，而R2、R3、R4和R5如本说明书所定义，这些化合物可用作激酶抑制剂，特别是蛋白酪氨酸激酶和p38激酶的抑制剂。
• Process for preparing 2-aminothiazole-5-aromatic carboxamides as kinase inhibitors
  申请人：Chen Bang-Chi

  公开号：US20060004067A1

  公开（公告）日：2006-01-05

  The invention relates to processes for preparing compounds having the formula, and crystalline forms thereof, wherein Ar is aryl or heteroaryl, L is an optional alkylene linker, and R 2 , R 3 , R 4 , and R 5 , are as defined in the specification herein, which compounds are useful as kinase inhibitors, in particular, inhibitors of protein tyrosine kinase and p38 kinase.

  本发明涉及制备具有下列公式和其晶体形式的化合物的方法，其中Ar为芳基或杂环芳基，L为可选的烷基连接器，R2、R3、R4和R5如本说明书中所定义，这些化合物可用作激酶抑制剂，特别是蛋白酪氨酸激酶和p38激酶的抑制剂。
• NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF
  申请人：KIYOTO Taro

  公开号：US20120226035A1

  公开（公告）日：2012-09-06

  Disclosed is a compound represented by the general formula: wherein R 1 represents an aryl or heterocyclic group which may be substituted or the like; X 1 represents a C 2 -C 4 alkylene group or the like; X 2 , X 3 and X 5 independently represent NH, a bond or the like; X 4 represents a lower alkylene group, a bond or the like; Y 1 represents a bivalent alicyclic hydrocarbon residue which may be substituted or a bivalent alicyclic amine residue which may be substituted; and Z 1 , Z 2 , Z 3 , Z 4 , Z 5 and Z 6 independently represent a nitrogen atom, a group represented by the formula: CH, or the like, provided that at least one of Z 3 , Z 4 , Z 5 and Z 6 represents a nitrogen atom, or a salt thereof, which is useful as an antibacterial agent.

  本发明公开了一种化合物，其通式表示为：其中R1表示取代的芳基或杂环基等；X1表示C2-C4烷基或类似基团；X2、X3和X5独立地表示NH、键或类似基团；X4表示低级烷基基团、键或类似基团；Y1表示可以取代的二价脂环烃残基或可以取代的二价脂环胺残基；Z1、Z2、Z3、Z4、Z5和Z6独立地表示氮原子、由公式CH表示的基团或类似基团，其中至少有一个Z3、Z4、Z5和Z6表示氮原子，或其盐，其作为抗菌剂有用。