N~2~,N~4~-Bis(4-hexylphenyl)-6-(4-methoxyphenoxy)pyrimidine-2,4-diamine | 136647-73-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N~2~,N~4~-Bis(4-hexylphenyl)-6-(4-methoxyphenoxy)pyrimidine-2,4-diamine
• 英文别名: 2-N,4-N-bis(4-hexylphenyl)-6-(4-methoxyphenoxy)pyrimidine-2,4-diamine
• CAS: 136647-73-9
• 化学式: C₃₅H₄₄N₄O₂
• 分子量: 552.7
• InChiKey: JCDSAHNNDIUTLE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.7
• 重原子数：
  41
• 可旋转键数：
  17
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  68.3
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• HIV inhibiting pyrimidine derivatives
  申请人：——

  公开号：US20010011094A1

  公开（公告）日：2001-08-02

  This invention concerns the use of the compounds of formula 1 the N-oxides, the pharmaceutically acceptable addition salts and the stereochemically isomeric forms thereof, wherein A is CH, CR 4 or N; n is 0 to 4; Q is hydrogen or —NR 1 R 2 ; R 1 and R 2 are selected from hydrogen, hydroxy, C 1-12 alkyl, C 1-12 alkyloxy, C 1-12 alkylcarbonyl, C 1-12 alkyloxycarbonyl, aryl, amino, mono- or di(C 1-12 alkyl)amino, mono- or di(C 1-12 alkyl)aminocarbonyl wherein each C 1-12 alkyl may optionally be substituted; or R 1 and R 2 taken together may form pyrrolidinyl, piperidinyl, morpholinyl, azido or mono- or di(C 1-12 alkyl)aminoC 1-4 alkylidene; R 3 is hydrogen, aryl, C 1-6 alkylcarbonyl, optionally substituted C 1-6 alkyl, C 1-6 alkyloxycarbonyl,; and R 4 is hydroxy, halo, optionally substituted C 1-6 alkyl, C 1-6 alkyloxy, cyano, aminocarbonyl, nitro, amino, trihalomethyl, trihalomethyloxy; R 5 is hydrogen or C 1-4 alkyl; L is optionally substituted C 1-10 alkyl, C 3-10 alkenyl, C 3-10 alkynyl, C 3-7 cycloalkyl; or L is —X 1 —R 6 or —X 2 —Alk—R 7 wherein R 6 and R 7 are optionally substituted phenyl; X 1 and X 2 are —NR 3 —, —NH—NH—, —N═N—, —O—, —S—, —S(═O)— or —S(═O) 2 —; Alk is C 1-4 alkanediyl; aryl is potionally substituted phenyl; Het is an optionally substituted aliphatic or aromatic heterocyclic radical: for the manufacture of a medicine for the treatment of subjects suffering from HIV (Human Immunodeficiency Virus) infection. It further relates to new compounds being a subgroup of the compounds of formula (I), their preparation and compositions comprising them.

  本发明涉及使用公式1化合物的N-氧化物、药学上可接受的加合盐和立体化学异构体，其中A为CH、CR4或N；n为0至4；Q为氢或—NR1R2；R1和R2选自氢、羟基、C1-12烷基、C1-12烷氧基、C1-12烷基羰基、C1-12烷氧基羰基、芳基、氨基、单烷基或双烷基氨基、单烷基或双烷基氨基羰基，其中每个C1-12烷基可选择性地被取代；或R1和R2一起形成吡咯烷基、哌啶基、吗啉基、叠氮基或单烷基或双烷基氨基C1-4烷基亚甲基；R3为氢、芳基、C1-6烷基羰基、可选择性取代的C1-6烷基、C1-6烷氧基羰基；R4为羟基、卤素、可选择性取代的C1-6烷基、C1-6烷氧基、氰基、氨基羰基、硝基、氨基、三卤甲基、三卤甲氧基；R5为氢或C1-4烷基；L为可选择性取代的C1-10烷基、C3-10烯基、C3-10炔基、C3-7环烷基；或L为—X1—R6或—X2—Alk—R7，其中R6和R7为可选择性取代的苯基；X1和X2为—NR3—、—NH—NH—、—N═N—、—O—、—S—、—S(═O)—或—S(═O)2—；Alk为C1-4烷二基；芳基为可选择性取代的苯基；Het为可选择性取代的脂肪族或芳香族杂环基，用于制造治疗感染艾滋病毒（人类免疫缺陷病毒）患者的药物。此外，本发明还涉及公式（I）化合物的一个亚组的新化合物、它们的制备和包含它们的组合物。
• Trisubstituted pyrimidine derivatives
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP0945442A1

  公开（公告）日：1999-09-29

  This invention concerns the use of the compounds of formula the N-oxides, the pharmaceutically acceptable addition salts and the stereochemically isomeric forms thereof, wherein A is CH or N; n is 0, 1, 2, 3 or 4; and in case A is CH, then n may also be 5; R1 and R2 are each independently selected from hydrogen, hydroxy, C1-12alkyl, C1-12alkyloxy, C1-12alkylcarbonyl, C1-12alkyloxycarbonyl, aryl, amino, mono- or di(C1-12alkyl)amino, mono- or di(C1-12alkyl)aminocarbonyl wherein each of the aforementioned C1-12alkyl groups may optionally and each individually be substituted; or R1 and R2 taken together may form pyrrolidinyl, piperidinyl, morpholinyl, azido or mono- or di(C1-12alkyl)aminoC1-4alkylidene; R3 is hydrogen, aryl, C1-6alkylcarbonyl, optionally substituted C1-6alkyl, C1-6alkyloxycarbonyl; and each R4 independently is hydroxy, halo, C1-6alkyl, C1-6alkyloxy, cyano, aminocarbonyl, nitro, amino, trihalomethyl or trihalomethyloxy; R5 is hydrogen or C1-4alkyl; L is optionally substituted C1-10alkyl, C3-10alkenyl, C3-10alkynyl, C3-7cycloalkyl; or L is -X-R6 wherein R6 is optionally substituted phenyl; and X is -NR3-, -NH-NH-, -N=N-, -O-, -S-, -S(=O)- or -S(=O)2-; aryl is optionally substituted phenyl; Het is an optionally substituted aliphatic or optionally substituted aromatic heterocyclic radical for the manufacture of a medicine for the treatment of subjects suffering from HIV (Human Immunodeficiency Virus) infection. It further relates to new compounds being a subgroup of the compounds of formula (I), their preparation and compositions comprising them.

  本发明涉及式化合物的用途 其中 A 是 CH 或 N；n 是 0、1、2、3 或 4；如果 A 是 CH，则 n 也可以是 5；R1和R2各自独立地选自氢、羟基、C1-12烷基、C1-12烷氧基、C1-12烷基羰基、C1-12烷氧基羰基、芳基、氨基、单-或二(C1-12烷基)氨基、单-或二(C1-12烷基)氨基羰基，其中上述各C1-12烷基可任选地各自被取代；或 R1 和 R2 结合在一起可形成吡咯烷基、哌啶基、吗啉基、叠氮基或单或双(C1-12 烷基)氨基亚烷基；R3 是氢、芳基、C1-6烷基羰基、任选取代的 C1-6烷基、C1-6烷氧基羰基；每个 R4 独立地是羟基、卤代、C1-6烷基、C1-6烷氧基、氰基、氨基羰基、硝基、氨基、三卤甲基或三卤甲基氧基；R5 是氢或 C1-4 烷基；L 是任选取代的 C1-10 烷基、C3-10 烯基、C3-10 炔基、C3-7 环烷基；或 L 是-X-R6，其中 R6 是任选取代的苯基；以及 X 是-NR3-、-NH-NH-、-N＝N-、-O-、-S-、-S(＝O)- 或-S(＝O)2-；芳基是任选取代的苯基；Het 是任选取代的脂肪族或任选取代的芳香族杂环基，用于制造治疗 HIV（人类免疫缺陷病毒）感染者的药物。本发明还涉及作为式（I）化合物亚族的新化合物、其制备方法以及包含它们的组合物。
• US6197779B1
  申请人：——

  公开号：US6197779B1

  公开（公告）日：2001-03-06
• US6440986B2
  申请人：——

  公开号：US6440986B2

  公开（公告）日：2002-08-27
• US6903213B2
  申请人：——

  公开号：US6903213B2

  公开（公告）日：2005-06-07