3-(4-chloro-phenyl)-3-(4-thieno[3,2-d]pyrimidin-4-yl-phenyl)-propylamine | 956462-46-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(4-chloro-phenyl)-3-(4-thieno[3,2-d]pyrimidin-4-yl-phenyl)-propylamine
• 英文别名: 4-Chloro-I(3)-(4-thieno[3,2-d]pyrimidin-4-ylphenyl)benzenepropanamine；3-(4-chlorophenyl)-3-(4-thieno[3,2-d]pyrimidin-4-ylphenyl)propan-1-amine
• CAS: 956462-46-7
• 化学式: C₂₁H₁₈ClN₃S
• 分子量: 379.913
• InChiKey: BWADRLMAKQJJAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  80
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• PHARMACEUTICAL COMPOUNDS
  申请人：Saxty Gordon

  公开号：US20090124610A1

  公开（公告）日：2009-05-14

  Compounds of the formula (I), and salts, solvates, tautomers and N-oxide thereof, wherein TG is selected from groups (1) and (2): wherein the asterisk (*) represents the point of attachment of the group E to the group X; R 1a is an optionally substituted aryl or heteroaryl group; R 1b is hydrogen or a group R1a; X is an optionally substituted bicyclic heterocyclic group having 8 to 12 ring members of which up to 5 are heteroatoms selected from O, N and S; and A, E, R 2 , R 3 , R 4 , Q 1 and Q 2 are as defined in the claims; provided that when E is aryl or heteroaryl, then Q 2 is other than a bond; and further provided that the moiety (a) is other than a group (BG1) or (BG2); wherein (BG1) and (BG2) are each optionally substituted; T is N or CR Z ; J 1 -J 2 is selected from N═C(R Z ), (R Z )C═N, (R Z )N—C(O), (R Z ) 2 C—C(O), N═N and (R Z )C═C(R 6 ); J 4 -J 3 is a group N═C(R Z ) or a group (R Z )N—CO; and R Z is hydrogen or a substituent. The compounds of the formula (I) have PKA and PKB kinase inhibiting activity and are useful in the treatment of cancers.

  公式（I）的化合物及其盐、溶剂化物、互变异构体和N-氧化物，其中TG从（1）和（2）组中选择：其中星号（*）表示E基团连接到X基团的连接点；R1a是可选取代的芳基或杂环芳基基团；R1b是氢或R1a基团；X是具有8至12个环成员的可选取代的双环杂环基团，其中最多5个是O、N和S的杂原子；A、E、R2、R3、R4、Q1和Q2如权利要求所定义；但是当E是芳基或杂环芳基时，Q2不是键；并且进一步提供，所述基团（a）不是（BG1）或（BG2）基团；其中（BG1）和（BG2）均为可选取代基团；T为N或CRZ；J1-J2选自N═C（RZ）、（RZ）C═N、（RZ）N—C（O）、（RZ）2C—C（O）、N═N和（RZ）C═C（R6）；J4-J3是N═C（RZ）基团或（RZ）N—CO基团；RZ是氢或取代基团。公式（I）的化合物具有PKA和PKB激酶抑制活性，并且在治疗癌症方面有用。