N-{7-tert-Butyl-6-[4-hydroxy-6-isopropyl-2-oxo-6-(2-thiophen-3-yl-ethyl)-5,6-dihydro-2H-pyran-3-ylsulfanyl]-4-methyl-benzothiazol-2-yl}-acetamide | 261707-64-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: N-{7-tert-Butyl-6-[4-hydroxy-6-isopropyl-2-oxo-6-(2-thiophen-3-yl-ethyl)-5,6-dihydro-2H-pyran-3-ylsulfanyl]-4-methyl-benzothiazol-2-yl}-acetamide
• 英文别名: N-[7-tert-butyl-6-[[4-hydroxy-6-oxo-2-propan-2-yl-2-(2-thiophen-3-ylethyl)-3H-pyran-5-yl]sulfanyl]-4-methyl-1,3-benzothiazol-2-yl]acetamide
• CAS: 261707-64-6
• 化学式: C₂₈H₃₄N₂O₄S₃
• 分子量: 558.787
• InChiKey: ZPOOHBOAGILITO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  37
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  170
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• HIV protease inhibitors
  申请人：——

  公开号：US20040106606A1

  公开（公告）日：2004-06-03

  The present invention relates to novel dihydropyrones with tethered heterocycles having improved pharmacologic properties which potently inhibit the HIV aspartyl protease blocking HIV infectivity. The dihydropyrones are useful in the development of therapies for the treatment of viral infections and diseases including AIDS. The present invention is also directed to methods of synthesis of the dihydropyrones and intermediates useful in the preparation of the final compounds.

  本发明涉及一种新颖的具有改进药理学性质的带有连接杂环的二氢吡喃并具有强烈抑制HIV天冬氨酸蛋白酶以阻止HIV感染性的药物。这些二氢吡喃可用于开发治疗病毒感染和疾病，包括艾滋病的治疗方案。本发明还涉及二氢吡喃的合成方法以及用于制备最终化合物的中间体。
• QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AND INTERMEDIATES THEREFORE
  申请人：AstraZeneca AB

  公开号：EP1553097A1

  公开（公告）日：2005-07-13

  The invention relates to the use of compounds of the formula I: wherein ring C is an 8, 9, 10, 12 or 13-membered bicyclic or tricyclic moiety which optionally may contain 1-3 heteroatoms selected independently from O, N and S; Z is -O-, -NH-, -S-, -CH2- or a direct bond; n is 0-5; m is 0-3; R2 represents hydrogen, hydroxy, halogeno, cyano, nitro, trifluoromethyl, C1-3alkyl, C1-3alkoxy, C1-3alkylsulphanyl, -NR3R4 (wherein R3 and R4, which may be the same or different, each represents hydrogen or C1-3alkyl), or R5X1- (wherein X1 and R5 are as defined herein; R1 represents hydrogen, oxo, halogeno, hydroxy, C1-4alkoxy, C1-4alkyl, C1-4alkoxymethyl, C1-4alkanoyl, C1-4haloalkyl, cyano, amino, C2-5alkenyl, C2-5alkynyl, C1-3alkanoyloxy, nitro, C1-4alkanoylamino, C1-4alkoxycarbonyl, C1-4alkylsulphanyl, C1-4alkylsulphinyl, C1-4alkylsulphonyl, carbamoyl, N-C1-4alkylcarbamoyl, N,N-di(C1-4alkyl)carbamoyl, aminosulphonyl, N-C1-4alkylaminosulphonyl, N,N-di(C1-4alkyl)aminosulphonyl, N-(C1-4alkylsulphonyl)amino, N-(C1-4alkylsulphonyl)-N-(C1-4alkyl)amino, N,N-di(C1-4alkylsulphonyl)amino, a C3-7alkylene chain joined to two ring C carbon atoms, C1-4alkanoylaminoC1-4alkyl, carboxy or a group R56X10 (wherein X10 and R56 are as defined herein); and salts thereof, in the manufacture of a medicament for use in the production of an antiangiogenic and/or vascular permeability reducing effect in warm-blooded animals, processes for the preparation of such compounds, pharmaceutical compositions containing a compound of formula I or a pharmaceutically acceptable salt thereof as active ingredient and compounds of formula I. The compounds of formula I and the pharmaceutically acceptable salts thereof inhibit the effects of VEGF, a property of value in the treatment of a number of disease states including cancer and rheumatoid arthritis.

  本发明涉及式 I 化合物的用途： 其中环 C 是 8、9、10、12 或 13 元双环或三环分子，可任选含有 1-3 个独立选自 O、N 和 S 的杂原子；Z 是 -O-、-NH-、-S-、-CH2- 或直接键；n 是 0-5；m 是 0-3；R2 代表氢、羟基、卤代、氰基、硝基、三氟甲基、C1-3 烷基、C1-3 烷氧基、C1-3 烷基硫代、-NR3R4（其中 R3 和 R4 可以相同或不同，各自代表氢或 C1-3 烷基）或 R5X1-（其中 X1 和 R5 如本文所定义；R1代表氢、氧代、卤代、羟基、C1-4烷氧基、C1-4烷基、C1-4烷氧基甲基、C1-4烷酰基、C1-4卤代烷基、氰基、氨基、C2-5烯基、C2-5炔基、C1-3烷酰氧基硝基、C1-4-烷酰氨基、C1-4-烷氧基羰基、C1-4-烷基硫酰基、C1-4-烷基亚砜基、C1-4-烷基磺酰基、氨基甲酰基、N-C1-4-烷基氨基甲酰基、N,N-二（C1-4-烷基）氨基甲酰基氨基磺酰基、N-C1-4烷基氨基磺酰基、N,N-二(C1-4烷基)氨基磺酰基、N-(C1-4烷基磺酰基)氨基、N-(C1-4烷基磺酰基)-N-(C1-4烷基)氨基、N,N-二(C1-4烷基磺酰基)氨基、与两个环 C 碳原子相连的 C3-7 烯链、C1-4-烷酰氨基 C1-4烷基、羧基或基团 R56X10（其中 X10 和 R56 如本文所定义）；及其盐，用于制造在温血动物中产生抗血管生成和/或降低血管通透性作用的药物、制备此类化合物的工艺、含有式 I 化合物或其药学上可接受的盐作为活性成分的药物组合物以及式 I 化合物。式 I 化合物及其药学上可接受的盐可抑制血管内皮生长因子的作用，这一特性在治疗包括癌症和类风湿性关节炎在内的多种疾病中具有重要价值。
• HIV PROTEASE INHIBITORS
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP1112269A2

  公开（公告）日：2001-07-04
• US6528510B1
  申请人：——

  公开号：US6528510B1

  公开（公告）日：2003-03-04
• US6852711B2
  申请人：——

  公开号：US6852711B2

  公开（公告）日：2005-02-08