benzyl-(3-methoxy-4-nitro-benzyl)-carbamic acid tert-butyl ester | 457099-59-1

• 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: benzyl-(3-methoxy-4-nitro-benzyl)-carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-benzyl-N-[(3-methoxy-4-nitrophenyl)methyl]carbamate
• CAS: 457099-59-1
• 化学式: C₂₀H₂₄N₂O₅
• 分子量: 372.421
• InChiKey: WANHFLFSUKQGLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  84.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  benzyl-(3-methoxy-4-nitro-benzyl)-carbamic acid tert-butyl ester 在 氯化铵 、 三氟乙酸 、 锌 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 生成 1-[4-(benzylamino-methyl)-2-methoxy-phenyl]-3-(5-cyano-pyrazin-2-yl)-urea
  参考文献：
  名称：

  [EN] MODULATORS OF CHK-1 ACTIVITY
  [FR] COMPOSÉS PHARMACEUTIQUES

  摘要：

  公开号：

  WO2011141716A3
• 作为产物：
  描述：

  4-溴甲基-2-甲氧基-1-硝基苯 在 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 benzyl-(3-methoxy-4-nitro-benzyl)-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Compounds useful for inhibiting Chk1

  摘要：

  公开了芳基和杂芳基取代脲化合物，用于治疗与DNA损伤或DNA复制中DNA损伤有关的疾病和状况。还公开了制造这些化合物的方法，以及它们作为治疗剂的使用，例如，在治疗由DNA复制、染色体分离或细胞分裂缺陷引起的癌症和其他疾病。

  公开号：

  US20030069284A1

文献信息

• [EN] ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHAMOSENSITIZERS<br/>[FR] UREE ARYLE ET HETEROARYLE UTILISEE EN TANT QU'INHIBITEUR DE CHK1, A UTILISER EN TANT QUE RADIOSENSIBILISANTS ET CHIMIOSENSIBILISANTS
  申请人：ICOS CORP

  公开号：WO2002070494A1

  公开（公告）日：2002-09-12

  Aryl- and heteroaryl substituted urea compounds useful in the treatment of diseases and conditions related to DNA damage or lesions in DNA replication are disclosed. Methods of making the compounds, and their use as therapeutic agents, for example, in treating cancer and other diseases characterized by defects in DNA replication, chromosome segregation, or cell division also are disclosed. Wherein W' is a six-membered aromatic ring containing at least 2 introgen atoms and optionally substitutedas defined in the claims, Z' is a five- or six membered aromatic or heteraromatic ring as defined in the claims, Y' is O or S.

  本发明涉及芳基和杂芳基取代的脲类化合物，用于治疗与DNA损伤或DNA复制中的损伤有关的疾病和病况。本发明还公开了制备这些化合物的方法以及它们作为治疗剂的用途，例如治疗癌症和其他以DNA复制缺陷、染色体分离或细胞分裂为特征的疾病。其中W'是一个含有至少2个氮原子的六元芳环，也可以是根据权利要求中定义的取代基；Z'是根据权利要求中定义的五元或六元芳香环或杂芳香环；Y'是O或S。
• Compounds useful for inhibiting CHK1
  申请人：Keegan S. Kathleen

  公开号：US20050245525A1

  公开（公告）日：2005-11-03

  Aryl- and heteroaryl-substituted urea compounds useful in the treatment of diseases and conditions related to DNA damage or lesions in DNA replication are disclosed. Methods of making the compounds, and their use as therapeutic agents, for example, in treating cancer and other diseases characterized by defects in DNA replication, chromosome segregation, or cell division also are disclosed.

  本文披露了芳基和杂环芳基取代的脲类化合物，其可用于治疗与DNA损伤或DNA复制中的损伤相关的疾病和病症。本文还披露了制备这些化合物的方法，以及它们作为治疗剂的用途，例如治疗癌症和其他由DNA复制缺陷、染色体分离或细胞分裂引起的疾病。
• COMPOUNDS USEFUL FOR INHIBITING CHK1
  申请人：Keegan Kathleen S.

  公开号：US20100105683A1

  公开（公告）日：2010-04-29

  Aryl- and heteroaryl-substituted urea compounds useful in the treatment of diseases and conditions related to DNA damage or lesions in DNA replication are disclosed. Methods of making the compounds, and their use as therapeutic agents, for example, in treating cancer and other diseases characterized by defects in DNA replication, chromosome segregation, or cell division also are disclosed.

  本发明公开了用于治疗与DNA损伤或DNA复制中的损伤有关的疾病和病症的芳基和杂环基取代脲化合物。本发明还公开了制备该化合物的方法以及它们作为治疗剂的用途，例如，在治疗癌症和其他以DNA复制缺陷、染色体分离或细胞分裂为特征的疾病中。
• Urea or thiourea substituted 1,4-pyrazine compounds useful as anti-cancer agents and for inhibiting Chk1
  申请人：Icos Corporation

  公开号：US07608618B2

  公开（公告）日：2009-10-27

  Compounds of the formula wherein: Y′ is O or S, W′ is optionally substituted, Z′ is selected from the group consisting of wherein Q′ is OR7 and R7 is C1-3alkyleneC3-8heterocycloalkyl useful in the treatment of diseases and conditions related to DNA damage or lesions in DNA replication are disclosed. Methods of making the compounds, and their use as therapeutic agents, for example, in treating cancer and other diseases characterized by defects in DNA replication, chromosome segregation, or cell division also are disclosed.

  本发明公开了化合物的公式，其中：Y′为O或S，W′为可选取代基，Z′选自以下组中：其中Q′为OR7，R7为C1-3烷基C3-8杂环烷基，有助于治疗与DNA损伤或DNA复制中的损伤有关的疾病和状况。本发明还公开了制备这些化合物的方法，以及它们作为治疗剂的用途，例如，用于治疗癌症和其他以DNA复制缺陷，染色体分离或细胞分裂为特征的疾病。
• PHARMACEUTICAL COMPOUNDS
  申请人：Boyle Robert George

  公开号：US20130065900A1

  公开（公告）日：2013-03-14

  The invention provides a compound of the formula (1): or a salt, N-oxide or tautomer thereof; wherein R 1 is cyano or C 1-4 alkyl; R 2 is hydrogen or C 1-4 alkyl; R 3 is hydrogen or C 1-4 alkyl; R 4 and R 5 are the same or different and each is selected from hydrogen, saturated C 1-4 hydrocarbyl and saturated C 1-4 hydrocarbyloxy; R 6 and R 7 are the same or different and each is selected from hydrogen, halogen, CN, C 1-4 alkyl and C 1-4 alkoxy wherein the C 1-4 alkyl and C 1-4 alkoxy are each optionally substituted with hydroxy, C 1-2 alkoxy or by one or more flourine atoms; R 8 is hydrogen or C 1-4 alkyl; Q is an alkylene chain of 1 to 4 carbon atoms in length between the moiety Ar and the nitrogen atom N, wherein one or more of the 1 to 4 carbon atoms of the alkylene chain may optionally be substituted with one or two C 1-4 alkyl groups, or wherein one carbon atom of the 1 to 4 carbon atoms of the alkylene chain may optionally be substituted with a group —CH 2 CH 2 — which together with the said one carbon atom forms a cyclopropyl group; m is 1, 2, 3 or 4; n is 0 or 1; and Ar is a monocyclic or bicyclic aryl or heteroaryl group of 5 to 10 ring members containing 0, 1, 2, 3 or 4 heteroatom ring members selected from O, N and S, the aryl or heteroaryl group being optionally substituted with one to four substituents R 13 as defined in the claims. The compounds are inhibitors of Chk-1 kinase and are active against cancers.

  本发明提供了化合物的公式（1）：或其盐，N-氧化物或互变异构体；其中R1是氰基或C1-4烷基；R2是氢或C1-4烷基；R3是氢或C1-4烷基；R4和R5相同或不同，每个都选择自氢，饱和的C1-4烃基和饱和的C1-4烃基氧；R6和R7相同或不同，每个都选择自氢，卤素，CN，C1-4烷基和C1-4烷氧，其中C1-4烷基和C1-4烷氧均可选地用羟基，C1-2烷氧或一个或多个氟原子取代；R8是氢或C1-4烷基；Q是长度为1到4个碳原子的烷基链，在基团Ar和氮原子N之间，其中1到4个碳原子中的一个或多个可以可选地用一个或两个C1-4烷基取代，或其中1个碳原子可以可选地用一个—CH2CH2—基团取代，与所述1个碳原子一起形成环丙基基团；m为1、2、3或4；n为0或1；Ar是一个含有0、1、2、3或4个杂环原子环成的5到10个环成员的单环或双环芳基或杂芳基，所述芳基或杂芳基可选地用一到四个定义如权利要求中所定义的取代基R13取代。这些化合物是Chk-1激酶的抑制剂，对癌症具有活性。