5-(4,6-bis-benzyloxy-5'-isopropyl-2'-methoxybiphenyl-3-yl)-1-(3-methoxypropyl)-1H-tetrazole | 1143624-21-8

• 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: 5-(4,6-bis-benzyloxy-5'-isopropyl-2'-methoxybiphenyl-3-yl)-1-(3-methoxypropyl)-1H-tetrazole
• 英文别名: 5-(4,6-bis-benzyloxy-5'-isopropyl-2'-methoxy-biphenyl-3-yl)-1-(3-methoxy-propyl)-1H-tetrazole；5-[5-(2-methoxy-5-propan-2-ylphenyl)-2,4-bis(phenylmethoxy)phenyl]-1-(3-methoxypropyl)tetrazole
• CAS: 1143624-21-8
• 化学式: C₃₅H₃₈N₄O₄
• 分子量: 578.711
• InChiKey: LXLZSEFSIPYZHQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  43
• 可旋转键数：
  14
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  80.5
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  5-(4,6-bis-benzyloxy-5'-isopropyl-2'-methoxybiphenyl-3-yl)-1-(3-methoxypropyl)-1H-tetrazole 在 5%-palladium/activated carbon 氢气 作用下， 以 甲醇 为溶剂， 以71%的产率得到5'-isopropyl-2'-methoxy-5-[1-(3-methoxypropyl)-1H-tetrazol-5-yl]biphenyl-2,4-diol
  参考文献：
  名称：

  [EN] 5- (2-HYDROXYPHENYL) TETRAZOLES AS HSP90 INHIBITORS AGAINST CANCER
  [FR] COMPOSÉS DE TÉTRAZOLE SUBSTITUÉS ET LEURS UTILISATIONS

  摘要：

  公开号：

  WO2009049305A3
• 作为产物：
  描述：

  4,6-bis-benzyloxy-5'-isopropyl-2'-methoxybiphenyl-3-carboxylic acid (3-methoxypropyl)amide 在 五氯化磷 、 叠氮基三甲基硅烷 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 以87%的产率得到5-(4,6-bis-benzyloxy-5'-isopropyl-2'-methoxybiphenyl-3-yl)-1-(3-methoxypropyl)-1H-tetrazole
  参考文献：
  名称：

  [EN] 5- (2-HYDROXYPHENYL) TETRAZOLES AS HSP90 INHIBITORS AGAINST CANCER
  [FR] COMPOSÉS DE TÉTRAZOLE SUBSTITUÉS ET LEURS UTILISATIONS

  摘要：

  公开号：

  WO2009049305A3

文献信息

• Substituted Tetrazole Compounds and Uses Thereof
  申请人：Yang Rui-Yang

  公开号：US20090130117A1

  公开（公告）日：2009-05-21

  The present invention provides tetrazole compounds, and methods of preparation of these compounds. The present invention also relates to pharmaceutical compositions comprising the tetrazole compounds. The present invention provides methods of treating a cell proliferative disorder, such as a cancer, by administering to a subject in need thereof a therapeutically effective amount of a compound of the present invention.

  本发明提供了四唑类化合物及其制备方法。本发明还涉及包含四唑类化合物的药物组合物。本发明提供了通过向需要治疗的受体内给予本发明化合物的治疗有效量来治疗细胞增殖性疾病，如癌症的方法。
• Substituted tetrazole compounds and uses thereof
  申请人：ArQule, Inc.

  公开号：US07932279B2

  公开（公告）日：2011-04-26

  The present invention provides tetrazole compounds, and methods of preparation of these compounds. The present invention also relates to pharmaceutical compositions comprising the tetrazole compounds. The present invention provides methods of treating a cell proliferative disorder, such as a cancer, by administering to a subject in need thereof a therapeutically effective amount of a compound of the present invention.

  本发明提供四唑类化合物及其制备方法。本发明还涉及包含四唑类化合物的药物组合物。本发明提供了通过向需要治疗的受体中施用本发明化合物的治疗有效量来治疗细胞增殖性疾病，如癌症的方法。
• SUBSTITUTED TETRAZOLE COMPOUNDS AND USES THEREOF
  申请人：ArQule, Inc.

  公开号：EP2217580A2

  公开（公告）日：2010-08-18
• US7932279B2
  申请人：——

  公开号：US7932279B2

  公开（公告）日：2011-04-26
• [EN] SUBSTITUTED TETRAZOLE COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS DE TÉTRAZOLE SUBSTITUÉS ET LEURS UTILISATIONS
  申请人：ARQULE INC

  公开号：WO2009049305A2

  公开（公告）日：2009-04-16

  The present invention provides tetrazole compounds, and methods of preparation of these compounds. The present invention also relates to pharmaceutical compositions comprising the tetrazole compounds. The present invention provides methods of treating a cell proliferative disorder, such as a cancer, by administering to a subject in need thereof a therapeutically effective amount of a compound of the present invention, formula (I) wherein: R1 is selected from the group consisting of hydrogen, CH3, F, Cl, Br, and I; R2 is selected from the group consisting of hydrogen, OH, SH, CH3, -CONH2, NHR16, -CH2OH, - CH2SH, and -CH2NH2; R16 is hydrogen, CH3, or C2H3; R3 is selected from the group consisting of hydrogen, F, Cl, Br, I, NO2, CN, -(C1-C6) alkyl, -(C1 -C6) substituted alkyl, C2-C6 alkenyl, (C3-C9) cycloalkyl, (C3-C9) substituted cycloalkyl; -OR8, -NR9R10, -C(=O)-, WR11, -C(=O)-NR12R13, and formula (II); R4 is selected from the group consisting of hydrogen, (C1 -C6) alkyl, (C1-C6) substituted alkyl, (C3-C9) cycloalkyl, (C3-C9) substituted cycloalkyl; aryl, substituted aryl, heteroaryl, substituted heteroaryl, heterocyclyl, substituted heterocyciyl, -OR14, and formula (III). The present invention relates to tetrazole compounds and the use of as HSP90 inhibitors for cancer.