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tert-butyl 4-(4-((4-(cyclopentylamino)-5-nitropyrimidin-2-yl)amino)phenyl) piperazine-1-carboxylate | 330551-01-4

中文名称
——
中文别名
——
英文名称
tert-butyl 4-(4-((4-(cyclopentylamino)-5-nitropyrimidin-2-yl)amino)phenyl) piperazine-1-carboxylate
英文别名
2-[[4-[4-(Tert-butoxycarbonyl)piperazin-1-yl]phenyl]-amino]-4-(cyclopentylamino)-5-nitropyrimidine;tert-butyl 4-[4-[[4-(cyclopentylamino)-5-nitropyrimidin-2-yl]amino]phenyl]piperazine-1-carboxylate
tert-butyl 4-(4-((4-(cyclopentylamino)-5-nitropyrimidin-2-yl)amino)phenyl) piperazine-1-carboxylate化学式
CAS
330551-01-4
化学式
C24H33N7O4
mdl
——
分子量
483.571
InChiKey
BIQRPUMMHJKVBI-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 沸点:
    690.2±65.0 °C(Predicted)
  • 密度:
    1.312±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    4.8
  • 重原子数:
    35
  • 可旋转键数:
    7
  • 环数:
    4.0
  • sp3杂化的碳原子比例:
    0.54
  • 拓扑面积:
    128
  • 氢给体数:
    2
  • 氢受体数:
    9

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

点击查看最新优质反应信息

文献信息

  • Pteridinones as kinase inhibitors
    申请人:——
    公开号:US20030130286A1
    公开(公告)日:2003-07-10
    Disclosed are compounds of Formulae (Ia), (Ib), (Ic), (Id) wherein: W is NH, S, SO, or SO 2 ; R 2 is (un)substituted aryl, (un)substituted heteroaryl, or (un)substituted carbocycle or heterocycle; Q is hydrogen or lower alkyl; R 4 and R 6 are the same or different and represent hydrogen, halogen, lower alkyl, lower alkoxy, (un)substituted aryl, (un)substituted heteroaryl, (un)substituted arylalkyl or (un)substituted heteroarylalkyl; and R 8 is hydrogen, lower alkyl or an (un)substituted carbocyclic group containing from 3-7 members, up to two of which members are optionally hetero atoms selected from oxygen and nitrogen; or R 8 is (un)substituted aryl, (un)substituted heteroaryl, (un)substituted arylalkyl or (un)substituted heteroarylalkyl. These compounds are useful for treating cell proliferative disorders, such as cancer and restenosis. These compounds are potent inhibitors of cyclin-dependent kinases (cdks) and growth factor-mediated kinases. The present invention also provides a method of treating cell proliferative disorders. Also provided by the present invention is a pharmaceutically acceptable composition containing a compound of Formula (I).
    公开了以下式(Ia)、(Ib)、(Ic)、(Id)的化合物:其中:W为NH、S、SO或SO2;R2为(非)取代芳基、(非)取代杂环芳基或(非)取代碳环或杂环;Q为氢或低碳基;R4和R6相同或不同,代表氢、卤素、低碳基、低烷氧基、(非)取代芳基、(非)取代杂环芳基、(非)取代芳基烷基或(非)取代杂环芳基烷基;R8为氢、低烷基或含有3-7个成员的(非)取代碳环基团,其中最多两个成员可选择性地为氧和氮等杂原子;或R8为(非)取代芳基、(非)取代杂环芳基、(非)取代芳基烷基或(非)取代杂环芳基烷基。这些化合物可用于治疗细胞增殖性疾病,如癌症和再狭窄。这些化合物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。本发明还提供了一种治疗细胞增殖性疾病的方法。本发明还提供了一种含有式(I)化合物的药学上可接受的组合物。
  • PTERIDINONES AS KINASE INHIBITORS
    申请人:Denny Alexander William
    公开号:US20070049600A1
    公开(公告)日:2007-03-01
    Disclosed are compounds of the formula wherein: W is NH, S, SO, or SO 2 ; R 2 is (un)substituted aryl, (un)substituted heteroaryl, or (un)substituted carbocycle or heterocycle; Q is hydrogen or lower alkyl; R 4 and R 6 are the same or different and represent hydrogen, halogen, lower alkyl, lower alkoxy, (un)substituted aryl, (un)substituted heteroaryl, (un)substituted arylalkyl or (un)substituted heteroarylalkyl; and R 8 is hydrogen, lower alkyl or an (un)substituted carbocyclic group containing from 3-7 members, up to two of which members are optionally hetero atoms selected from oxygen and nitrogen; or R 8 is (un)substituted aryl, (un)substituted heteroaryl, (un)substituted arylalkyl or (un)substituted heteroarylalkyl. These compounds are useful for treating cell proliferative disorders, such as cancer and restenosis. These compounds are potent inhibitors of cyclin-dependent kinases (cdks) and growth factor-mediated kinases. The present invention also provides a method of treating cell proliferative disorders. Also provided by the present invention is a pharmaceutically acceptable composition containing a compound of Formula I.
    该专利涉及的化合物的化学式为:其中:W代表NH、S、SO或SO2;R2代表(未)取代的芳基、(未)取代的杂环芳基或(未)取代的碳环或杂环;Q代表氢或低碳基;R4和R6相同或不同,代表氢、卤素、低碳基、低氧代基、(未)取代的芳基、(未)取代的杂环芳基、(未)取代的芳基烷基或(未)取代的杂环芳基烷基;R8代表氢、低碳基或含有3-7个成员的(未)取代的碳环基团,其中最多两个成员可选地是氧和氮的杂原子;或R8代表(未)取代的芳基、(未)取代的杂环芳基、(未)取代的芳基烷基或(未)取代的杂环芳基烷基。这些化合物可用于治疗细胞增殖性疾病,如癌症和再狭窄。这些化合物是强效的cyclin-dependent kinases(cdks)和生长因子介导的激酶的抑制剂。本发明还提供了一种治疗细胞增殖性疾病的方法。本发明还提供了一种含有化合物I的药学上可接受的组合物。
  • 10.1021/acs.jmedchem.4c00965
    作者:He, Huan、Zhang, Xingsen、Wang, Jie、Liu, Qi、Zhang, LeiHao、Chen, Lu、Yuan, Yuan、Zhao, Zhenjiang、Li, Honglin、Chen, Zhuo
    DOI:10.1021/acs.jmedchem.4c00965
    日期:——
    Degradation of target proteins has been considered to be a promising therapeutic approach, but the rational design of compounds for degradation remains a challenge. In this study, we reasonably designed and synthesized only 10 compounds to discover effective CDK4/6 protein degraders. Among the newly synthesized compounds, 7f achieved dual degradation of CDK4/6 protein, with DC50 values of 10.5 and
    靶蛋白的降解被认为是一种有前途的治疗方法,但降解化合物的合理设计仍然是一个挑战。在本研究中,我们合理设计并合成了仅10种化合物,以发现有效的CDK4/6蛋白降解剂。新合成的化合物中, 7f实现了CDK4/6蛋白的双重降解,DC 50值分别为10.5和2.5 nM。化合物7f还表现出对Jurkat细胞的抑制增殖活性,IC 50值为0.18 μM。此外, 7f在 Jurkat 细胞中以剂量依赖性方式诱导细胞凋亡和 G1 期细胞周期停滞。总之,这些发现证明了7f作为 CDK4/6 降解剂的潜力和潜在的癌症治疗策略,从而扩大了 CDK4/6 双 PROTAC 的潜力。
  • US7169778B2
    申请人:——
    公开号:US7169778B2
    公开(公告)日:2007-01-30
  • [EN] PTERIDINONES AS KINASE INHIBITORS<br/>[FR] PTERIDINONES UTILISEES COMME INHIBITEURS DE KINASES
    申请人:WARNER LAMBERT CO
    公开号:WO2001019825A1
    公开(公告)日:2001-03-22
    Disclosed are compounds of Formulae (Ia), (Ib), (Ic), (Id) wherein: W is NH, S, SO, or SO2; R2 is (un)substituted aryl, (un)substituted heteroaryl, or (un)substituted carbocycle or heterocycle; Q is hydrogen or lower alkyl; R?4 and R6¿ are the same or different and represent hydrogen, halogen, lower alkyl, lower alkoxy, (un)substituted aryl, (un)substituted heteroaryl, (un)substituted arylalkyl or (un)substituted heteroarylalkyl; and R8 is hydrogen, lower alkyl or an (un)substituted carbocyclic group containing from 3-7 members, up to two of which members are optionally hetero atoms selected from oxygen and nitrogen; or R8 is (un)substituted aryl, (un)substituted heteroaryl, (un)substituted arylalkyl or (un)substituted heteroarylalkyl. These compounds are useful for treating cell proliferative disorders, such as cancer and restenosis. These compounds are potent inhibitors of cyclin-dependent kinases (cdks) and growth factor-mediated kinases. The present invention also provides a method of treating cell proliferative disorders. Also provided by the present invention is a pharmaceutically acceptable composition containing a compound of Formula (I).
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