methyl 6-(3-benzoylthioureido)-4-bromopyridine-2-carboxylate | 885326-89-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: methyl 6-(3-benzoylthioureido)-4-bromopyridine-2-carboxylate
• 英文别名: methyl 6-(benzoylcarbamothioylamino)-4-bromopyridine-2-carboxylate
• CAS: 885326-89-6
• 化学式: C₁₅H₁₂BrN₃O₃S
• 分子量: 394.249
• InChiKey: MMBSAPDJUQTRRQ-UHFFFAOYSA-N

物化性质

• 密度：
  1.603±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  112
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 6-(3-benzoylthioureido)-4-bromopyridine-2-carboxylate 在 氢氧化钾 、 盐酸 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 1.5h， 生成 methyl 6-(thioureido)-4-bromopyridine-2-carboxylate
  参考文献：
  名称：

  AMINOPYRIMIDINE DERIVATIVES HAVING AURORA-A-SELECTIVE INHIBITORY ACTIVITY

  摘要：

  公开号：

  EP2017279B1
• 作为产物：
  描述：

  2-氨基-4-溴-6-羧基吡啶甲酯 、 苯甲酰基异硫氰酸酯 以 四氢呋喃 为溶剂， 反应 13.0h， 生成 methyl 6-(3-benzoylthioureido)-4-bromopyridine-2-carboxylate
  参考文献：
  名称：

  AMINOPYRIMIDINE DERIVATIVES HAVING AURORA-A-SELECTIVE INHIBITORY ACTIVITY

  摘要：

  公开号：

  EP2017279B1

文献信息

• Novel aminopyridine derivatives having aurora a selective inhibitory action
  申请人：Ohkubo Mitsuru

  公开号：US20060106029A1

  公开（公告）日：2006-05-18

  The present invention relates to a compound represented by the general formula (I): wherein m 1 and m 2 are 1, 2, or 3; n 1 and n 2 are 0 or 1; i is an integer of any of 1 to m 1 ; j is an integer of 1 to m 2 ; R is aryl, heteroaryl, or cycloalkyl any of which may be substituted; R ai and R ai ′ is hydrogen atom, etc. and R bj and R bj ′ is hydrogen atom, etc.; R c , R d , and R e are hydrogen atom, etc; X 1 is CH, CX 1a , or N; X 2 is CH, N, etc.; X 3 is CH, N, etc.; X 4 is CH or N; Y 1 , Y 2 , and Y 3 are each independently CH or N; Z 1 and Z 2 are each independently CH or N; W is a 5-membered aromatic heterocyclic group such as pyrazolyl, thiazolyl, etc., or a pharmaceutically acceptable salt or ester thereof; a pharmaceutical composition or antitumor agent containing the same; and combinations of the antitumor agent with other antitumor agent(s).

  本发明涉及一种由通式（I）表示的化合物：其中m1和m2为1、2或3；n1和n2为0或1；i为1到m1的任意整数；j为1到m2的任意整数；R为芳基、杂环芳基或环烷基，其中任何一个都可以被取代；Rai和Rai′为氢原子等；Rbj和Rbj′为氢原子等；Rc、Rd和Re为氢原子等；X1为CH、CX1a或N；X2为CH、N等；X3为CH、N等；X4为CH或N；Y1、Y2和Y3分别独立地为CH或N；Z1和Z2分别独立地为CH或N；W为5元芳香杂环基，例如咪唑基、噻唑基等，或其药学上可接受的盐或酯；一种含有该化合物的药物组合物或抗肿瘤剂；以及该抗肿瘤剂与其他抗肿瘤剂的组合。
• Novel Aminopyridine Derivatives Having Aurora a Selective Inhibitory Action
  申请人：Ohkubo Mitsuru

  公开号：US20080027042A1

  公开（公告）日：2008-01-31

  The present invention relates to a compound represented by the general formula (I): wherein m 1 and m 2 are 1, 2, or 3; n 1 and n 2 are 0 or 1; i is an integer of any of 1 to m 1 ; j is an integer of 1 to m 2 ; R is aryl, heteroaryl, or cycloalkyl any of which may be substituted; R ai and R ai ′ is hydrogen atom, etc. and R bj and R bj ′ is hydrogen atom, etc.; R c , R d , and R e are hydrogen atom, etc; X 1 is CH, CX 1a , or N; X 2 is CH, N, etc.; X 3 is CH, N, etc.; X 4 is CH or N; Y 1 , Y 2 , and Y 3 are each independently CH or N; Z 1 and Z 2 are each independently CH or N; W is a 5-membered aromatic heterocyclic group such as pyrazolyl, thiazolyl, etc., or a pharmaceutically acceptable salt or ester thereof; a pharmaceutical composition or antitumor agent containing the same; and combinations of the antitumor agent with other antitumor agent(s).

  本发明涉及一种由通式（I）表示的化合物：其中m1和m2为1、2或3；n1和n2为0或1；i为1到m1的任意整数；j为1到m2的任意整数；R为芳基、杂环芳基或环烷基，其中任何一个都可以被取代；Rai和Rai′为氢原子等；Rbj和Rbj′为氢原子等；Rc、Rd和Re为氢原子等；X1为CH、CX1a或N；X2为CH、N等；X3为CH、N等；X4为CH或N；Y1、Y2和Y3分别独立为CH或N；Z1和Z2分别独立为CH或N；W为5-成员芳香杂环基，例如吡唑基、噻唑基等，或其药学上可接受的盐或酯；以及含有该化合物的药物组合物或抗肿瘤剂；以及与其他抗肿瘤剂的组合使用。
• Aminopyridine derivatives having aurora a selective inhibitory action
  申请人：MSD K.K.

  公开号：US08101621B2

  公开（公告）日：2012-01-24

  The present invention relates to a compound of general formula I: wherein: n1 and n2 are the same or different, and are 0 or 1; R is aryl, heteroaryl, etc.; Re is hydrogen atom or lower alkyl; two groups selected from four groups consisting of (i) either one of Ra1 and Ra1′, (ii) either one of Ra2 and Ra2′, (iii) either one of Rb1 and Rb1′, and (iv) either one of Rb2 and Rb2′, are combined to form —(CH2)n— where n is 1, 2 or 3; and among Ra1, Ra1′, Ra2, Ra2′, Rb1, Rb1′, Rb2 and Rb2′, the groups which do not form —(CH2)n— are each independently hydrogen atom, etc.; X1, X2, X3 and X4 are each independently CH, N, etc.; Y1, Y2, Y3 and Y4 are the same or different and are CH or N, etc.; W is a 5-membered aromatic heterocyclic group, or a pharmaceutically acceptable salt or ester thereof.

  本发明涉及一种通式I的化合物：其中：n1和n2相同或不同，为0或1；R为芳基，杂环芳基等；Re为氢原子或低碳基；从四个组成的Ra1和Ra1'、Ra2和Ra2'、Rb1和Rb1'、Rb2和Rb2'中选择两个组合成—(CH2)n—，其中n为1、2或3；在Ra1、Ra1'、Ra2、Ra2'、Rb1、Rb1'、Rb2和Rb2'中，不形成—(CH2)n—的基团各自独立地为氢原子等；X1、X2、X3和X4各自独立地为CH、N等；Y1、Y2、Y3和Y4相同或不同，为CH或N等；W为5-成员芳香杂环基，或其药学上可接受的盐或酯。
• Aminopyridine derivatives having Aurora A selective inhibitory action
  申请人：Banyu Pharmaceutical Co., Ltd.

  公开号：US07491720B2

  公开（公告）日：2009-02-17

  The present invention relates to a compound represented by the general formula (I): wherein m1 and m2 are 1, 2, or 3; n1 and n2 are 0 or 1; i is an integer of any of 1 to m1; j is an integer of 1 to m2; R is aryl, heteroaryl, or cycloalkyl any of which may be substituted; Rai and Rai′ is hydrogen atom, etc. and Rbj and Rbj′ is hydrogen atom, etc.; Rc, Rd, and Re are hydrogen atom, etc; X1 is CH, CX1a, or N; X2 is CH, N, etc.; X3 is CH, N, etc.; X4 is CH or N; Y1, Y2, and Y3 are each independently CH or N; Z1 and Z2 are each independently CH or N; W is a 5-membered aromatic heterocyclic group such as pyrazolyl, thiazolyl, etc., or a pharmaceutically acceptable salt or ester thereof; a pharmaceutical composition or antitumor agent containing the same; and combinations of the antitumor agent with other antitumor agent(s).

  本发明涉及一种由通式(I)表示的化合物：其中m1和m2为1、2或3；n1和n2为0或1；i为1到m1的任意整数；j为1到m2的任意整数；R为芳基、杂环芳基或环烷基，其中任何一种可能被取代；Rai和Rai′为氢原子等；Rbj和Rbj′为氢原子等；Rc、Rd和Re为氢原子等；X1为CH、CX1a或N；X2为CH、N等；X3为CH、N等；X4为CH或N；Y1、Y2和Y3各自独立地为CH或N；Z1和Z2各自独立地为CH或N；W为5-成员芳香杂环基，例如吡唑基、噻唑基等，或其药学上可接受的盐或酯；包含该化合物的制药组合物或抗肿瘤剂；以及该抗肿瘤剂与其他抗肿瘤剂的组合。
• NOVEL AMINOPYRIDINE DERIVATIVE HAVING AURORA-A-SELECTIVE INHIBITORY ACTIVITY
  申请人：BANYU PHARMACEUTICAL CO., LTD.

  公开号：EP2017279A1

  公开（公告）日：2009-01-21

  The present invention relates to a compound of general formula I: wherein: n1 and n2 are the same or different, and are 0 or 1; R is aryl, heteroaryl, etc.; Re is hydrogen atom or lower alkyl; two groups selected from four groups consisting of (i) either one of Ra1 and Ra1', (ii) either one of Ra2 and Ra2', (iii) either one of Rb1 and Rb1', and (iv) either one of Rb2 and Rb2', are combined to form -(CH2)n- where n is 1, 2 or 3; and among Ra1, Ra1', Ra2, Ra2', Rb1, Rb1', Rb2 and Rb2', the groups which do not form -(CH2)n- are each independently hydrogen atom, etc.; X1, X2, X3 and X4 are each independently CH, N, etc.; Y1, Y2, Y3 and Y4 are the same or different and are CH or N, etc.; W is a 5-membered aromatic heterocyclic group, or a pharmaceutically acceptable salt or ester thereof.

  本发明涉及通式 I 的化合物： 其中 n1 和 n2 相同或不同，且为 0 或 1；R 为芳基、杂芳基等。Re为氢原子或低级烷基；选自以下四个基团的两个基团结合形成-(CH2)n-，其中 n 为 1、2 或 3：(i) Ra1 和 Ra1'中的任一个；(ii) Ra2 和 Ra2'中的任一个；(iii) Rb1 和 Rb1'中的任一个；(iv) Rb2 和 Rb2'中的任一个；在 Ra1、Ra1'、Ra2、Ra2'、Rb1、Rb1'、Rb2 和 Rb2'中，不形成-(CH2)n-的基团各自独立地为氢原子等。X1、X2、X3 和 X4 各自独立地为 CH、N 等；Y1、Y2、Y3 和 Y4 相同或不同，且为 CH 或 N 等；W 为 5 元芳香杂环基团、 或其药学上可接受的盐或酯。