Biphenyl-4-ylmethyl-(2-chloro-9H-purin-6-yl)-amine | 203436-46-8

• 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: Biphenyl-4-ylmethyl-(2-chloro-9H-purin-6-yl)-amine
• 英文别名: 2-Chloro-6-(4-phenylbenzylamino)purine；2-chloro-N-[(4-phenylphenyl)methyl]-7H-purin-6-amine
• CAS: 203436-46-8
• 化学式: C₁₈H₁₄ClN₅
• 分子量: 335.796
• InChiKey: PHEWBOXSENDZMT-UHFFFAOYSA-N

物化性质

• 熔点：
  267-269 °C
• 沸点：
  512.5±60.0 °C(Predicted)
• 密度：
  1.39±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  66.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Biphenyl-4-ylmethyl-(2-chloro-9H-purin-6-yl)-amine 在 N-甲基吡咯烷酮 、 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-[{6-[(Biphenyl-4-ylmethyl)-amino]-9-isopropyl-9H-purin-2-yl}-(2-hydroxy-ethyl)-amino]-ethanol
  参考文献：
  名称：

  Synthesis and activity of 2,6,9-trisubstituted purines

  摘要：

  The preparation of a series of 2,6,9-trisubstituted purines and the structure-activity data for the inhibition of cyclin dependent kinase, CDK2 are presented. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10076-2
• 作为产物：
  描述：

  4-氰基联苯 在 lithium aluminium tetrahydride 、 三乙胺 作用下， 以 四氢呋喃 、 叔丁醇 为溶剂， 反应 16.0h， 生成 Biphenyl-4-ylmethyl-(2-chloro-9H-purin-6-yl)-amine
  参考文献：
  名称：

  细胞周期蛋白调节剂

  摘要：

  本发明提供了一种细胞周期蛋白调节剂。具体地，本发明提供了一种如式（I）所示的化合物或其药学上可接受的盐。

  公开号：

  WO2024041661A1

文献信息

• Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha
  申请人：Lum T. Robert

  公开号：US20050080261A1

  公开（公告）日：2005-04-14

  Compounds of the following formula are provided: In the Formula (I), R 1 is —X—R 1 ′; in which R 1 ′ is optionally substituted lower alkyl, optionally substituted aryl, optionally substituted heteroaryl, or optionally substituted heterocyclyl, and X is —NH—. R 2 is lower alkyl optionally substituted with one, two or three groups chosen from hydroxy, lower alkoxy, and halogen. And R 3 is —NR 4 R 5 ; in which R 4 is hydrogen and R 5 is lower alkyl substituted with amino; or (ii) R 4 and R 5 are both lower alkyl optionally substituted with one, two or three groups chosen from hydroxy and amino. It is to be understood that R 1 ′ is not cyclohexylmethyl, phenyl, substituted phenyl, benzyl, phenylethyl, or m-hydroxybenzyl. The compounds inhibit CDK-2 activity and are useful for treating disorders characterized by undesirable cell proliferation.

  提供以下公式的化合物：在公式（I）中，R1为—X—R1′；其中R1′为可选择取代的低烷基、可选择取代的芳基、可选择取代的杂芳基或可选择取代的杂环烷基，X为—NH—。R2为低烷基，可选择取代一个、两个或三个羟基、低烷氧基或卤素基。R3为—NR4R5；其中R4为氢，R5为取代氨基的低烷基；或（ii）R4和R5均为低烷基，可选择取代一个、两个或三个羟基和氨基。应理解R1′不是环己基甲基、苯基、取代苯基、苄基、苯乙基或间羟基苄基。这些化合物能够抑制CDK-2活性，并用于治疗具有不良细胞增殖特征的疾病。
• Purine inhibitors of cyclin dependent kinase 2 & IkappaBalpha
  申请人：CV Therapeutics, Inc.

  公开号：US20020032327A1

  公开（公告）日：2002-03-14

  A 2,6,9-trisubstituted purine composition that is useful for inhibiting cell proliferative disorders and as an antifungal agent.

  一种2,6,9-三取代嘌呤组合物，可用于抑制细胞增殖性疾病和作为抗真菌剂。
• Purine inhibitors of cyclin dependent kinase 2 & IkBa
  申请人：——

  公开号：US20020035252A1

  公开（公告）日：2002-03-21

  A 2,6,9-trisubstituted purine composition that is useful for inhibiting cell proliferative disorders and as an antifungal agent.

  一种2,6,9-三取代嘌呤组合物，可用于抑制细胞增殖性疾病和作为抗真菌剂。
• Purine inhibitors of cyclin dependent kinase 2 & IKBA
  申请人：——

  公开号：US06790958B2

  公开（公告）日：2004-09-14

  Compounds of the following formula are provided: wherein: R1 is —X—R1′; in which R1′ is alkyl, cycloalkyl, aryl, aralkyl, hetaryl, or heterocyclyl, all of which are optionally substituted; X is —NH; R2 is optionally substituted lower alkyl; and R3 is —NR4R5; in which R4 and R5 independently are hydrogen or lower alkyl optionally substituted by hydroxy or amino; or acid addition salts or cationic salts thereof. The compounds inhibit CDK-2 activity and are useful for treating disorders characterized by undesirable cell proliferation.

  提供以下公式的化合物：其中：R1为—X—R1′；其中R1′为烷基、环烷基、芳基、芳基烷基、杂环芳基或杂环烷基，所有这些基团均可选择性地被取代；X为—NH；R2为可选择性取代的低烷基；R3为—NR4R5；其中R4和R5独立地为氢或可选择性地被羟基或氨基取代的低烷基；或其酸加合物盐或阳离子盐。该化合物抑制CDK-2活性并可用于治疗由不良细胞增殖所表征的疾病。
• Purine inhibitors of cyclin dependent kinase 2 & ikappabalpha
  申请人：CV Therapeutics, Inc.

  公开号：US06794390B2

  公开（公告）日：2004-09-21

  A compound having the formula: wherein: R1 is —X—R1′; in which R1′ is lower alkyl, substituted lower alkyl, aryl, substituted aryl, heteroaryl, or substituted heteroaryl, or heterocyclic, and X is —NH—; R2 is isopropyl; and R3 is —NR4R5; in which R4 is hydrogen and R5 is lower alkyl substituted with amino or R4 and R5 are both lower alkyl substituted with one, two or three groups chosen from hydroxy and amino, or an acid addition salt or cationic salt thereof. The compounds inhibit CDK-2 activity and are useful for treating disorders characterized by undesirable cell proliferation.

  一种化合物的化学式：其中：R1为—X—R1′；其中R1′为低碳基、取代低碳基、芳基、取代芳基、杂芳基或取代杂芳基或杂环基，X为—NH—；R2为异丙基；R3为—NR4R5；其中R4为氢，R5为取代氨基的低碳基或R4和R5均为低碳基，取代一个、两个或三个羟基和氨基的基团，或其酸加成盐或阳离子盐。该化合物抑制CDK-2活性，并可用于治疗具有不良细胞增殖特征的疾病。