N-(3-氯苯基)-4-(2-氯吡啶-4-基)嘧啶-2-胺 | 164658-40-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-(3-氯苯基)-4-(2-氯吡啶-4-基)嘧啶-2-胺
• 英文名称: (3-chloro-phenyl)-[4-(2-chloro-pyridin-4-yl)-pyrimidin-2-yl]-amine
• 英文别名: N-(3-chloro-phenyl)-4-(2-chloro-pyridin-4-yl)-2-pyrimidineamine；N-(3-chloro-phenyl)-4-(2-chloro-4-pyridyl)-2-pyrimidineamine；N-(3-chlorophenyl)-4-(2-chloropyridin-4-yl)pyrimidin-2-amine
• CAS: 164658-40-6
• 化学式: C₁₅H₁₀Cl₂N₄
• 分子量: 317.177
• InChiKey: NZBGMLVZHPHCAR-UHFFFAOYSA-N

物化性质

• 沸点：
  513.9±60.0 °C(Predicted)
• 密度：
  1.413±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  50.7
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 储存条件：
  2-8°C

反应信息

• 作为反应物：
  描述：

  N-(3-氯苯基)-4-(2-氯吡啶-4-基)嘧啶-2-胺 在 肼 作用下， 反应 1.5h， 生成 (3-chloro-phenyl)-[4-(2-hydrazino-pyridin-4-yl)-pyrimidin-2-yl]-amine
  参考文献：
  名称：

  N-phenyl-4-(4-pyridyl)-2-pyrimidineamine derivatives

  摘要：

  本发明涉及一种保护植物免受植物病原体，如线虫或特别是微生物，优选为真菌、细菌和病毒，或两种或两种以上这些生物的攻击或感染的方法，通过施用至少一种化合物的公式（I）：其中n为0或1，R1为卤素、烷氧基、卤代烷基、卤代烷氧基或烷基，R2为氢、卤素、烷基、卤代烷基、烷氧基或卤代烷氧基，R3、R4和R5中的每一个独立地为氢、较低烷基或卤素，R6如权利要求1所定义。本发明还涉及公式（I）的新化合物、其制备、使用以及包含所述化合物的组合物。

  公开号：

  US20030236256A1
• 作为产物：
  描述：

  3-氯苯胺 在 硝酸 、 sodium ethanolate 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-(3-氯苯基)-4-(2-氯吡啶-4-基)嘧啶-2-胺
  参考文献：
  名称：

  Identification of pyrimidine derivatives as hSMG-1 inhibitors

  摘要：

  hSMG-1 kinase plays a dual role in a highly conserved RNA surveillance pathway termed nonsense-mediated RNA decay (NMD) and in cellular genotoxic stress response. Since deregulation of cellular responses to stress contributes to tumor growth and resistance to chemotherapy, hSMG-1 is a potential target for cancer treatment. From our screening efforts, we have identified pyrimidine derivatives as hSMG-1 kinase inhibitors. We report structure-based optimization of this pan-kinase scaffold to improve its biochemical profile and overall kinome selectivity, including mTOR and CDK, to generate the first reported selective hSMG-1 tool compound. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.08.107

文献信息

• Pharmacologically active pyridine derivatives and processes for the
  申请人：Novartis Corporation

  公开号：US05728708A1

  公开（公告）日：1998-03-17

  N-phenyl-2-pyrimidineamine derivatives of formula I ##STR1## wherein the substituents are as defined in claim 1 and the derivatives of formula I can be used, for example, in the treatment of tumour diseases.

  式I的N-苯基-2-嘧啶胺衍生物，其中取代基如权利要求1中定义的那样，式I的衍生物可以用于例如治疗肿瘤疾病。
• Pyrimidine Derivatives
  申请人：Klebl Bert

  公开号：US20080187575A1

  公开（公告）日：2008-08-07

  The present invention relates to pyrimidine derivatives, methods for their synthesis, and the use of said pyrimidine derivatives as pharmaceutically active agents, especially for the prophylaxis and/or treatment of cell proliferation disorders, cancer, leukemia, erectile dysfunction, cardiovascular diseases and disorders, inflammatory diseases, transplant rejection, immunological diseases, neuroimmunological diseases, autoimmune diseases, infective diseases including opportunistic infections, prion diseases and/or neuro-degeneration. Furthermore, the present invention relates to pharmaceutical compositions containing at least one pyrimidine derivative and/or pharmaceutically acceptable salts thereof as an active ingredient together with at least one pharmaceutically acceptable carrier, excipient or diluents as well as to methods for prophylaxis and/or treatment of the above-mentioned diseases and disorders.

  本发明涉及嘧啶衍生物，其合成方法，以及所述嘧啶衍生物作为药用活性剂的用途，特别是用于预防和/或治疗细胞增殖紊乱、癌症、白血病、勃起功能障碍、心血管疾病和紊乱、炎症性疾病、移植排斥、免疫性疾病、神经免疫性疾病、自身免疫性疾病、感染性疾病包括机会性感染、朊病和/或神经退行性疾病。此外，本发明涉及含有至少一种嘧啶衍生物和/或其药用可接受盐作为活性成分的药物组合物，以及用于预防和/或治疗上述疾病和紊乱的方法。
• Pharmacologically active pyrimidineamine derivatives and processes for
  申请人：Novartis Corporation

  公开号：US05705502A1

  公开（公告）日：1998-01-06

  Described are N-phenyl-2-pyrimidineamine derivatives of formula I ##STR1## wherein R.sub.1 is a substituted cyclic radical, the cyclic radical being bonded at a ring carbon atom in each case and being selected from phenyl, pyridyl, pyrazinyl, thiazolyl, pyrimidinyl, pyridazinyl and imidazolyl, and the substituents of the above-mentioned cyclic radical being selected from one or more of the groups halogen, cyano, carbamoyl, --C(.dbd.O)--OR.sub.3, --C(.dbd.O)--R.sub.4, --SO.sub.2 --N(R.sub.5)--R.sub.6, --N(R.sub.7)--R.sub.8, --OR.sub.9 and fluorine-substituted lower alkyl, wherein R.sub.3, R.sub.4, R.sub.5, R.sub.6, R.sub.7, R.sub.8 and R.sub.9 are each independently of the others hydrogen or lower alkyl that is unsubstituted or substituted by mono- or di-lower alkylamino; and R.sub.2 is selected from halogen, cyano, carbamoyl, --C(.dbd.O)--OR.sub.10, --C(.dbd.O)--R.sub.11, --SO.sub.2 --N(R.sub.12)--R.sub.13, --N(R.sub.14)--R.sub.15, --OR.sub.16 and fluorine-substituted lower alkyl, wherein R.sub.10, R.sub.11, R.sub.12, R.sub.13, R.sub.14, R.sub.15 and R.sub.16 are each independently of the others hydrogen or lower alkyl that is unsubstituted or substituted by mono- or di-lower alkylamino. Those compounds can be used, for example, in the treatment of tumour diseases.

  本文描述了式I的N-苯基-2-嘧啶胺衍生物：##STR1## 其中R.sub.1是一个取代的环状基团，在每种情况下与环状基团上的一个环碳原子键合，并且从苯基，吡啶基，吡嗪基，噻唑基，嘧啶基，吡嗪啉基和咪唑基中选择，上述环状基团的取代基从卤素，氰基，氨基甲酰基，--C(.dbd.O)--OR.sub.3，--C(.dbd.O)--R.sub.4，--SO.sub.2--N(R.sub.5)--R.sub.6，--N(R.sub.7)--R.sub.8，--OR.sub.9和氟代的低烷基中选择，其中R.sub.3，R.sub.4，R.sub.5，R.sub.6，R.sub.7，R.sub.8和R.sub.9各自独立地是未取代或取代的低烷基，可以通过单烷基或二烷基氨基进行取代; R.sub.2从卤素，氰基，氨基甲酰基，--C(.dbd.O)--OR.sub.10，--C(.dbd.O)--R.sub.11，--SO.sub.2--N(R.sub.12)--R.sub.13，--N(R.sub.14)--R.sub.15，--OR.sub.16和氟代的低烷基中选择，其中R.sub.10，R.sub.11，R.sub.12，R.sub.13，R.sub.14，R.sub.15和R.sub.16各自独立地是未取代或取代的低烷基，可以通过单烷基或二烷基氨基进行取代。这些化合物可以用于肿瘤疾病的治疗。
• Microbiocidal n-phenyl-n-[4-(4-pyridyl-2-pyrimidin-2-yl]-amine derivatives
  申请人：——

  公开号：US20040063937A1

  公开（公告）日：2004-04-01

  The invention relates to novel N-phenyl-4-(4-pyridyl)-2-pyrimidineamine derivatives of the general formula (1) wherein the sum of (m+p) together is 0, 1, 2 or 3; n and q are independently of each other 0 or 1, and the sum of (m+p+q) together is 1, 2, 3 or 4; R 1 is hydrogen, halogen, alkoxy, haloalkyl, haloalkoxy or alkyl; R 2 is hydrogen, C 1 -C 6 -alkyl, C 1 -C 6 -haloalkyl or C 1 -C 6 -alkoxy; R 2A is hydrogen, C 1 -C 6 -alkyl, C 3 -C 4 -alkenyl or C 3 -C 4 -alkynyl; each of R 3 , R 4 , R 5 and R 6 is, independently of the others, hydrogen, C 1 -C 6 -alkyl, C 1 -C 6 -haloalkyl, hydroxy-C 1 -C 6 -alkyl or C 1 -C 6 -alkoxy-C 1 -C 6 -alkyl, or the ring members CR 3 R 4 or CR 5 R 6 or CR 2 R 2A are independently of each other a carbonyl group (C═O) or a group C═S; X is C═O, C═S, S═O or O═S=O; Y is O, S, C═O, CH 2A , —N(R 8 )—, —O—N(R 8 )—, —N(R 8 )—O— or NH—; R 7 is hydrogen, C 1 -C 4 -alkyl, C 3 -C 4 -alkenyl, C 3 -C 4 -alkynyl, —CH 2 OR 8 , CH 2 SR 8 , —C(O)R 8 , —C(O)OR 8 , SO 2 R 8 , SOR 8 or SR 8 ; and R 8 is C 1 -C 8 -alkyl, C 1 -C 8 -alkoxyalkyl, C 1 -C 8 haloalkyl or phenylC 1 -C 2 -alkyl wherein the phenyl may be substituted by up to three groups selected from halo or C 1 -C 4 -alkyl; or a salt thereof. The invention also relates to the preparation of the compounds and to agrochemical compositions comprising at least one of those compounds as active ingredient as well as the preparation of the said compositions and to the use of the compounds or of the compositions in controlling or preventing the infestation of plants by phytopathogenic microorganisms, especially fungi.

  本发明涉及一种新型的N-苯基-4-(4-吡啶基)-2-嘧啶胺衍生物，其通式为(1)，其中(m+p)的和为0、1、2或3；n和q相互独立，为0或1，(m+p+q)的和为1、2、3或4；R1为氢、卤素、烷氧基、卤代烷基、卤代烷氧基或烷基；R2为氢、C1-C6烷基、C1-C6卤代烷基或C1-C6烷氧基；R2A为氢、C1-C6烷基、C3-C4烯基或C3-C4炔基；R3、R4、R5和R6中的每一个，独立于其他，为氢、C1-C6烷基、C1-C6卤代烷基、羟基-C1-C6烷基或C1-C6烷氧基-C1-C6烷基，或环成员CR3R4或CR5R6或CR2R2A中的每一个，相互独立，为一个羰基基团(CO)或一个C&Sgr;基团；X为C═O、C═S、S═O或O═S=O；Y为O、S、C═O、CH2A、—N(R8)—、—O—N(R8)—、—N(R8)—O—或NH—；R7为氢、C1-C4烷基、C3-C4烯基、C3-C4炔基、—CH2OR8、CH2SR8、—C(O)R8、—C(O)OR8、SO2R8、SOR8或SR8；R8为C1-C8烷基、C1-C8烷氧基烷基、C1-C8卤代烷基或苯基C1-C2烷基，其中苯基可被选自卤素或C1-C4烷基的最多三个基团取代；或其盐。本发明还涉及该化合物的制备、以至少一种该化合物为活性成分的农药组合物的制备，以及该组合物的制备和使用该化合物或组合物在控制或预防植物受到植物病原微生物，特别是真菌的侵染方面的用途。
• Microbiocidal n-phenyl-n-{4-(4-pyridyl)-2-pyrimidin-2-yl}-amine derivatives
  申请人：Ackermann Peter

  公开号：US20050085496A1

  公开（公告）日：2005-04-21

  Fungicidal compounds of Formula (I) wherein m is 0, 1, 2 or 3; n and p are independently of each other 0 or 1; R 1 is halogen, optionally substituted alkyl, optionally substituted alkoxy, optionally substituted alkenyloxy, optionally substituted alkynyloxy, optionally substituted thioalkyl optionally substituted aryl, COOR 11 , CONR 12 R 13 , S(O) q R 14 , SO 2 NR 15 R 16 or NR 15a R 16a ; q is 1 or 2; and R 2 , R 2a , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , R 11 , R 12 , R 13 , R 14 , R 15 , R 16 , R 15a , R 16a , are specified organic groups or a salt thereof; their preparation and compositions containing them.

  公式（I）的杀真菌化合物，其中m为0、1、2或3；n和p独立地为0或1；R1是卤素、可选择取代的烷基、可选择取代的烷氧基、可选择取代的烯氧基、可选择取代的炔氧基、可选择取代的硫代烷基、可选择取代的芳基、COOR11、CONR12R13、S（O）qR14、SO2NR15R16或NR15aR16a；q为1或2；以及R2、R2a、R3、R4、R5、R6、R7、R8、R9、R10、R11、R12、R13、R14、R15、R16、R15a、R16a是指定的有机基团或其盐；它们的制备和含有它们的组合物。