4-[4-(1-Amino-1-methylethyl)phenyl]-5-chloro-N-[4-(2-(piperidin-1-yl)ethyl)phenyl]pyrimidine-2-amine | 335592-56-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-[4-(1-Amino-1-methylethyl)phenyl]-5-chloro-N-[4-(2-(piperidin-1-yl)ethyl)phenyl]pyrimidine-2-amine
• 英文别名: 4-[4-(2-aminopropan-2-yl)phenyl]-5-chloro-N-[4-(2-piperidin-1-ylethyl)phenyl]pyrimidin-2-amine
• CAS: 335592-56-8
• 化学式: C₂₆H₃₂ClN₅
• 分子量: 450.027
• InChiKey: ZRLHLTSSMLMVMP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  67.1
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• 4,5-Disubstituted-2-aminopyrimidines
  申请人：Celltech R&D Limited

  公开号：US20040235876A1

  公开（公告）日：2004-11-25

  Pyrimidines of formla (1) are described: 1 wherein R 1 is a —XR 6 group; R 2 and R 3 which may be the same or different is each a hydrogen or halogen atom or a group selected from an optionally substituted aliphatic, cycloaliphatic, heteroaliphatic, heterocycloaliphatic, —OH, —OR 10 [where R 10 is an optionally substituted aliphatic, cycloaliphatic, heteroaliphatic, heterocycloaliphatic, aromatic or heteroaromatic group] —SH, —NO 2 , —CN, —SR 10 , —COR 10 , S(O)R 10 , —SO 2 R 8 , —SO 2 N(R 8 )(R 9 ), —CO 2 R 8 , —CON(R 8 )(R 9 ), —CSN(R 8 )(R 9 ), —NH 2 or substituted amino group; R 4 is a X 1 R 11 group where X 1 is a covalent bond or a —C(R 12 )(R 13 )— [where each of R 12 and R 13 is a hydrogen or halogen atom or a hydroxyl, alkyl or haloalkyl group] or —C(O)— group and R 11 is an optionally substituted phenyl, thienyl, thiazolyl or indolyl group; R 5 is a halogen atom or an alkynyl group; and the salts, solvates, hydrates and N-oxides thereof. The compounds are selective KDR kinase and/or FGFr kinase inhibitors and are of use in the prophylaxis and treatment of disease states associated with angiogenesis

  描述了化学式（1）的嘧啶类化合物：其中，R1是一个—XR6基团；R2和R3可以相同或不同，分别是氢或卤素原子，或者是从可选取代的脂肪族、环烷基、杂原子脂肪族、杂原子环烷基、—OH、—OR10（其中R10是可选取代的脂肪族、环烷基、杂原子脂肪族、杂原子环烷基、芳香族或杂芳香族基团） 、—SH、—NO2、—CN、—SR10、—COR10、S（O）R10、—SO2R8、—SO2N（R8）（R9）、—CO2R8、—CON（R8）（R9）、—CSN（R8）（R9）、—NH2或取代氨基基团中选择的基团；R4是一个X1R11基团，其中X1是一个共价键或—C（R12）（R13）—（其中R12和R13中的每一个是氢或卤素原子、羟基、烷基或卤代烷基基团）或—C（O）—基团，R11是一个可选取代的苯基、噻吩基、噻唑基或吲哚基团；R5是一个卤素原子或炔基团；以及它们的盐、溶剂化物、水合物和N-氧化物。这些化合物是选择性的KDR激酶和/或FGFr激酶抑制剂，可用于预防和治疗与血管生成相关的疾病状态。
• 4.5-disubstituted-2-aminopyrimidines
  申请人：——

  公开号：US20030212269A1

  公开（公告）日：2003-11-13

  Pyrimidines of formla (1) are described: 1 wherein R 1 is a —XR 6 group; R 2 and R 3 which may be the same or different is each a hydrogen or halogen atom or a group selected from an optionally substituted aliphatic, cycloaliphatic, heteroaliphatic, heterocycloaliphatic, —OH, —OR 10 [where R 10 is an optionally substituted aliphatic, cycloaliphatic, heteroaliphatic, heterocycloaliphatic, aromatic or heteroaromatic group] —SH, —NO 2 , —CN, —SR 10 , —COR 10 , S(O)R 10 , —SO 2 R 8 , —SO 2 N(R 8 )(R 9 ), —CO 2 R 8 , —CON(R 8 )(R 9 ), —CSN(R 8 )(R 9 ), —NH 2 or substituted amino group; R 4 is a X 1 R 11 group where X 1 is a covalent bond or a —C(R 12 )(R 13 )— [where each of R 12 and R 13 is a hydrogen or halogen atom or a hydroxyl, alkyl or haloalkyl group] or —C(O)— group and R 11 is an optionally substituted phenyl, thienyl, thiazolyl or indolyl group; R 5 is a halogen atom or an alkynyl group; and the salts, solvates, hydrates and N-oxides thereof. The compounds are selective KDR kinase and/or FGFr kinase inhibitors and are of use in the prophylaxis and treatment of disease states associated with angiogenesis

  描述了化学式（1）的嘧啶类化合物：其中R1是—XR6基团；R2和R3可以相同或不同，分别是氢或卤素原子或从可选取代的脂肪族、环状脂肪族、杂原子脂肪族、杂环脂肪族、—OH、—OR10[其中R10是可选取代的脂肪族、环状脂肪族、杂原子脂肪族、杂环脂肪族、芳香族或杂芳香族基团]、—SH、—NO2、—CN、—SR10、—COR10、S（O）R10、—SO2R8、—SO2N（R8）（R9）、—CO2R8、—CON（R8）（R9）、—CSN（R8）（R9）、—NH2或取代氨基基团；R4是X1R11基团，其中X1是共价键或—C（R12）（R13）—[其中R12和R13各自是氢或卤素原子或羟基、烷基或卤代烷基基团]或—C（O）—基团，而R11是可选取代的苯基、噻吩基、噻唑基或吲哚基团；R5是卤素原子或炔基团；以及其盐、溶剂化合物、水合物和N-氧化物。这些化合物是选择性的KDR激酶和/或FGFr激酶抑制剂，可用于预防和治疗与血管生成相关的疾病状态。
• 4,5-DISUBSTITUTED-2-AMINOPYRIMIDINES
  申请人：Celltech R&D Limited

  公开号：EP1222175B1

  公开（公告）日：2005-12-14
• US6600037B1
  申请人：——

  公开号：US6600037B1

  公开（公告）日：2003-07-29
• [EN] 4,5-DISUBSTITUTED-2-AMINOPYRIMIDINES<br/>[FR] -2-AMINOPYRIMIDINES DISUBSTITUEES EN 4,5
  申请人：CELLTECH CHIROSCIENCE LTD

  公开号：WO2001029009A1

  公开（公告）日：2001-04-26

  Pyrimidines of formula (1) are described, wherein R1 is a -XR6 group; R?2 and R3¿ which may be the same or different is each a hydrogen or halogen atom or a group selected from an optionally substituted aliphatic, cycloaliphatic, heteroaliphatic, heterocycloaliphatic, -OH, -OR10 [where R10 is an optionally substituted aliphatic, cycloaliphatic, heteroaliphatic, heterocycloaliphatic, aromatic or heteroaromatic group] -SH, -NO¿2?, -CN, -SR?10, -COR10, S(O)R10, -SO¿2R8, -SO2N(R8)(R9), -CO¿2R?8, -CON(R8)(R9), -CSN(R8)(R9), -NH¿2? or substituted amino group; R?4 is a X1R11¿ group where X1 is a covalent bond or a -C(R12)(R13)-[where each of R?12 and R13¿ is a hydrogen or halogen atom or a hydroxyl, alkyl or haloalkyl group] or -C(O)- group and R11 is an optionally substituted phenyl, thienyl, thiazolyl or indolyl group; R5 is a halogen atom or an alkynyl group; and the salts, solvates, hydrates and N-oxides thereof. The compounds are selective KDR kinase and/or FGFr kinase inhibitors and are of use in the prophylaxis and treatment of disease states associated with angiogenesis.