(1-benzyl-3-{[2-(1-cyclopentyl-piperidin-4-ylamino)-benzothiazole-6-sulfonyl]-isobutyl-amino}-2-hydroxy-propyl)-carbamic acid hexahydro-furo[2,3-b]furan-3-yl ester | 1000287-05-7

• 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: (1-benzyl-3-{[2-(1-cyclopentyl-piperidin-4-ylamino)-benzothiazole-6-sulfonyl]-isobutyl-amino}-2-hydroxy-propyl)-carbamic acid hexahydro-furo[2,3-b]furan-3-yl ester
• 英文别名: (3r,3as,6ar)-Hexahydrofuro[2,3-B]furan-3-Yl {(2s,3r)-4-[({2-[(1-Cyclopentylpiperidin-4-Yl)amino]-1,3-Benzothiazol-6-Yl}sulfonyl)(2-Methylpropyl)amino]-3-Hydroxy-1-Phenylbutan-2-Yl}carbamate；[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[[2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazol-6-yl]sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
• CAS: 1000287-05-7
• 化学式: C₃₈H₅₃N₅O₇S₂
• 分子量: 756.0
• InChiKey: JQUNFHFWXCXPRK-AMMMHQJVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  52
• 可旋转键数：
  15
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  179
• 氢给体数：
  3
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  4-叔丁氧羰基氨基哌啶 在 盐酸 、 sodium carbonate 、 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 水 、 异丙醇 、 乙腈 为溶剂， 反应 221.0h， 生成 (1-benzyl-3-{[2-(1-cyclopentyl-piperidin-4-ylamino)-benzothiazole-6-sulfonyl]-isobutyl-amino}-2-hydroxy-propyl)-carbamic acid hexahydro-furo[2,3-b]furan-3-yl ester
  参考文献：
  名称：

  WO2007/147884

  摘要：

  公开号：

文献信息

• 2-(SUBSTITUTED-AMINO)-BENZOTHIAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS
  申请人：De Kock Herman

  公开号：US20090209583A1

  公开（公告）日：2009-08-20

  The present invention relates to 2-(substituted-amino)-benzothiazole sulfonamide compounds and derivatives, their use as protease inhibitors, in particular as broad-spectrum HIV protease inhibitors, processes for their preparation as well as pharmaceutical compositions and diagnostic kits comprising them. The present invention also concerns combinations of the present 2-(substituted-amino)-benzothiazole sulfonamide compounds and derivatives with another anti-retroviral agent. It further relates to their use in assays as reference compounds or as reagents.

  本发明涉及2-(取代氨基)-苯并噻唑磺酰胺化合物及其衍生物，它们的用途是蛋白酶抑制剂，特别是广谱HIV蛋白酶抑制剂，以及它们的制备方法、制药组合物和诊断试剂盒。本发明还涉及将本发明的2-(取代氨基)-苯并噻唑磺酰胺化合物和衍生物与另一种抗逆转录病毒药物组合使用。此外，本发明还涉及将其用作参考化合物或试剂的检测方法。
• US8202887B2
  申请人：——

  公开号：US8202887B2

  公开（公告）日：2012-06-19
• [EN] COMPOUNDS FOR USE IN THE TREATMENT OF VIRAL INFECTIONS BY RESPIRATORY SYNDROME-RELATED CORONAVIRUS<br/>[FR] COMPOSÉS DESTINÉS À ÊTRE UTILISÉS DANS LE TRAITEMENT D'INFECTIONS VIRALES PAR UN CORONAVIRUS ASSOCIÉ AU SYNDROME RESPIRATOIRE
  申请人：SOM INNOVATION BIOTECH S A

  公开号：WO2021209563A1

  公开（公告）日：2021-10-21

  The present invention relates to a compound selected from the group consisting of cynarine, eravacycline and prexasertib or a pharmaceutically acceptable salt thereof, preferably eravacycline or a pharmaceutically acceptable salt thereof, and to combination of said compounds with other active ingredients, for use in the treatment and/or prevention of viral infections by coronavirus selected from the group consisting of MERS-CoV, SARS-CoV and SARS-CoV-2 virus, to the use of said compound or its combinations in the manufacture of a medicament for the treatment or prevention of said diseases and to a method of treating and/or preventing by administration of said compound or its combinations.
• WO2007/147884
  申请人：——

  公开号：——

  公开（公告）日：——