4-Amino-2-anilino-5-cyan-pyrimidin | 99973-42-9

• 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: 4-Amino-2-anilino-5-cyan-pyrimidin
• 英文别名: 4-Amino-2-phenylamino-pyrimidine-5-carbonitrile；4-amino-2-anilino-pyrimidine-5-carbonitrile；4-amino-2-anilinopyrimidine-5-carbonitrile
• CAS: 99973-42-9
• 化学式: C₁₁H₉N₅
• 分子量: 211.226
• InChiKey: RKWMXFMTFOSKMW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  87.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-Amino-2-anilino-5-cyan-pyrimidin 在 溶剂黄146 、 sodium nitrite 作用下， 反应 18.0h， 生成 4-hydroxy-2-(phenylamino)pyrimidine-5-carbonitrile
  参考文献：
  名称：

  4-Alkyl-substituted diaminopyrimidines

  摘要：

  使用具有以下结构的4-烷基取代二氨基嘧啶化合物（I）作为杀菌剂，其中R1至R13和X1和X2的含义如描述中所述，以及其农药活性盐，以及用于在植物内部和/或表面或植物种子内部和/或表面控制植物病原真菌的方法和组合物，用于制备这种组合物和处理种子的过程，以及它们在农业、园艺和林业中控制植物病原真菌的用途，在材料保护以及家庭和卫生领域。此外，本发明还涉及制备具有以下结构的二氨基嘧啶化合物（Ia）、（Ib）和（Ic）的方法。

  公开号：

  US20110230478A1
• 作为产物：
  描述：

  3-Cyanamino-2-cyanopropenenitrile sodium salt 在 盐酸 作用下， 反应 0.66h， 生成 4-Amino-2-anilino-5-cyan-pyrimidin
  参考文献：
  名称：

  Schmidt, Hans-Werner; Koitz, Gerald; Junek, Hans, Journal of Heterocyclic Chemistry, 1987, vol. 24, p. 1305 - 1307

  摘要：

  DOI：

文献信息

• Pyridopyrimidinone derivatives for treatment of neurodegenerative disease
  申请人：——

  公开号：US20040224958A1

  公开（公告）日：2004-11-11

  This invention provides pyridopyrimidines and 4-aminopyrimidines that are useful for treating cell proliferatives disorders, such as cancer and restenosis. We have now discovered a group of 7,8-dihydro-2 (amino and thio)pyrido[2,3-d]pyrimidines and 2,4-diaminopyrimidines that are potent inhibitors of cyclin-dependent kinases (cdks) and growth factor-mediated kinases. The compounds are readily synthesized and can be administered by a variety of routes, including orally, and have sufficient bioavailability. This invention provides compounds of Formula (I) and Formula (II) where W is NH, S, SO, or SO 2 , R 1 includes phenyl and substituted phenyl, R 2 includes alkyl and cycloalkyl, R 3 includes alkyl and hydrogen, R 8 and R 9 include hydrogen and alkyl, and Z is carboxy. This invention also provide pharmaceutical formulations comprising a compound of Formula (I or II) together with a pharmaceutically acceptable carrier, diluent, or excipient therefor. 1

  这项发明提供了对治疗细胞增殖性疾病（如癌症和再狭窄）有用的吡啶吡嘧啶和4-氨基吡嘧啶。我们现在发现了一组7,8-二氢-2（氨基和硫）吡啶嘧啶和2,4-二氨基吡嘧啶，它们是细胞周期依赖性激酶（cdk）和生长因子介导的激酶的有效抑制剂。这些化合物易于合成，并且可以通过多种途径（包括口服）给药，具有足够的生物利用度。该发明提供了式（I）和式（II）的化合物，其中W为NH、S、SO或SO2，R1包括苯基和取代苯基，R2包括烷基和环烷基，R3包括烷基和氢，R8和R9包括氢和烷基，Z为羧基。该发明还提供了含有式（I或II）化合物的制剂，与其一起使用的药用可接受载体、稀释剂或赋形剂。
• Pyrido[2,3-D]pyrimidines and 4-aminopyrimidines as inhibitors of cellular proliferation
  申请人：Warner-Lambert Company

  公开号：US06498163B1

  公开（公告）日：2002-12-24

  This invention provides pyridopyrimidines and 4-aminopyrimidines that are useful for treating cell proliferative disorders, such as cancer and restenosis. We have now discovered a group of 7,8-dihydro-2-(amino and thio)pyrido[2,3-d]pyrimidines and 2,4-diaminopyrimidines that are potent inhibitors of cyclin-dependent kinases (cdks) and growth factor-mediated kinases. The compounds are readily synthesized and can be administered by a variety of routes, including orally, and have sufficient bioavailability. This invention provides compounds of Formula I: and Formula II: where W is NH, S, SO, or SO2, R1 includes phenyl and substituted phenyl, R2 includes alkyl and cycloalkyl, R3 includes alkyl and hydrogen, R8 and R9 include hydrogen and alkyl, and Z is carboxy. This invention also provides pharmaceutical formulations comprising a compound of Formula I or II together with a pharmaceutically acceptable carrier, diluent, or excipient therefor.

  这项发明提供了用于治疗细胞增殖性疾病，如癌症和再狭窄的吡啶吡嘧啶和4-氨基吡嘧啶。我们现在发现了一组7,8-二氢-2-(氨基和硫)吡啶吡嘧啶和2,4-二氨基吡嘧啶，它们是有效的细胞周期素依赖性激酶（cdk）和生长因子介导的激酶的抑制剂。这些化合物可以轻松合成，并且可以通过多种途径，包括口服，进行给药，并具有足够的生物利用度。这项发明提供了化合物的化学式I和化学式II，其中W为NH、S、SO或SO2，R1包括苯基和取代苯基，R2包括烷基和环烷基，R3包括烷基和氢，R8和R9包括氢和烷基，Z为羧基。这项发明还提供了包含化学式I或II的化合物的药物制剂，以及与其一起使用的药学上可接受的载体、稀释剂或赋形剂。
• 4-Amino-5-cyano-2-anilino-pyrimidine derivatives and their use as inhibitors of cell-cycle kinases
  申请人：——

  公开号：US20030087923A1

  公开（公告）日：2003-05-08

  Compounds of formula (I) wherein: R 1 is halo, nitro, cyano, hydroxy, amino, carboxy, carbamoyl, mercapto, C 1-6 alkyl, C 2-6 alkenyl or C 2-6 alkynyl; p is 0-4; wherein the values of R 1 may be the same or different; R 2 is sulphamoyl or a group B—E—; wherein B is optionally substituted as defined within and is selected from C 1-6 alkyl, C 2-6 alkenyl, C 2-6 alkynyl, C 3-8 cycloalkyl, C 1-6 alkyl, phenyl, a heterocyclic group, phenylC 1-6 alkyl or (heterocyclic group)C 1-6 alkyl; E is C(O)—, N(R a )C(O)—, —C(O)N(R a )—, —S(O) r —, —SO 2 N(R a )— or —N(R a )SO 2 —; wherein R a is hydrogen or C 1-6 alkyl optionally substituted as defined within and r is 1-2; q is 0-2; wherein the values of R 2 may be the same or different; and wherein p+q=1-5; or a pharmaceutically acceptable salt or an in vivo hydrolysable ester thereof are described. Processes for their manufacture and their use as inhibitors of cell cycle kinases, particularly CDK2, CDK4 and/or CDK6 are also described.

  式(I)的化合物，其中：R1为卤素、硝基、氰基、羟基、氨基、羧基、氨基甲酰基、巯基、C1-6烷基、C2-6烯基或C2-6炔基；p为0-4；其中R1的值可以相同也可以不同；R2为磺胺基或B—E—基团；其中B如下定义并且可选择性取代，并选自C1-6烷基、C2-6烯基、C2-6炔基、C3-8环烷基、C1-6烷基、苯基、杂环基、苯基C1-6烷基或(杂环基)C1-6烷基；E为C(O)—、N(Ra)C(O)—、—C(O)N(Ra)—、—S(O)r—、—SO2N(Ra)—或—N(Ra)SO2—；其中Ra为氢或C1-6烷基，可选择性取代，并且r为1-2；q为0-2；其中R2的值可以相同也可以不同；且p+q=1-5；或其药学上可接受的盐或体内可水解酯。还描述了它们的制备方法以及作为细胞周期激酶抑制剂的用途，特别是CDK2、CDK4和/或CDK6。
• 6-Aryl pyrido\x9b2,3-d! pyrimidines and naphthyridines for inhibiting
  申请人：——

  公开号：US05733913A1

  公开（公告）日：1998-03-31

  6-Aryl pyrido\x9b2,3-d!pyrimidines and naphthyridines are inhibitors of protein tyrosine kinase, and are thus useful in treating cellular proliferation mediated thereby. The compounds are especially useful in treating atherosclerosis, restenosis, psoriasis, as well as bacterial infections.

  6-Aryl pyrido\x9b2,3-d!pyrimidines和naphthyridines是蛋白酪氨酸激酶的抑制剂，因此对于通过其介导的细胞增殖的治疗非常有用。这些化合物在治疗动脉粥样硬化、再狭窄、牛皮癣以及细菌感染方面特别有用。
• 6-aryl naphthyridines for inhibiting protein tyrosine kinase mediated
  申请人：Warner-Lambert Company

  公开号：US05952342A1

  公开（公告）日：1999-09-14

  6-Aryl naphthyridines are inhibitors of protein tyrosine kinase, and are thus useful in treating cellular proliferation mediated thereby. The compounds are especially useful in treating atherosclerosis, restenosis, psoriasis, as well as bacterial infections.

  6-芳基萘啶是蛋白酪氨酸激酶的抑制剂，因此在治疗细胞增殖介导的疾病方面非常有用。这些化合物在治疗动脉粥样硬化、再狭窄、牛皮癣以及细菌感染方面尤其有用。