Pyrrophenone

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: Pyrrophenone
• 英文别名: N-(((2S,4R)-1-(2-(2,4-difluorobenzoyl)benzoyl)-4-(tritylthio)pyrrolidin-2-yl)methyl)-4-((Z)-(2,4-dioxothiazolidin-5-ylidene)methyl)benzamide；N-[[(2S,4R)-1-[2-(2,4-difluorobenzoyl)benzoyl]-4-tritylsulfanylpyrrolidin-2-yl]methyl]-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzamide
• 化学式: C₄₉H₃₇F₂N₃O₅S₂
• 分子量: 849.979
• InChiKey: XSCZRVUQXBBTRO-GYCZXHFISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.8
• 重原子数：
  61
• 可旋转键数：
  12
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  163
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  1,3-二氟苯 在 sodium hydroxide 、 三氯化铝 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 tin(ll) chloride 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 84.0h， 生成 Pyrrophenone
  参考文献：
  名称：

  Pyrrolidine inhibitors of human cytosolic phospholipase A2. Part 2

  摘要：

  We synthesized a potent and crystallized human cytosolic phospholipase A(2)alpha inhibitor, pyrrophenone (6) which inhibits the isolated enzyme with an IC50 value of 4.2 nM. Pyrrophenone shows potent inhibition of arachidonic acid release, prostaglandin E-2, thromboxane B-2, and leukotriene B-4 formation in human whole blood. The magnitudes of prostaglandin E-2 and thromboxane B-2 inhibition are the same as those of indomethacin. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00003-8

文献信息

• [EN] COMPOUND INDUCING LBPA ACCUMULATION FOR INHIBITING CELL-TO-CELL TRANSMISSION OF HIV<br/>[FR] COMPOSÉ INDUISANT UNE ACCUMULATION DE LBPA POUR INHIBER LA TRANSMISSION INTERCELLULAIRE DU VIH
  申请人：INST NAT SANTE RECH MED

  公开号：WO2012055814A1

  公开（公告）日：2012-05-03

  The present invention concerns a compound inducing Lyso-Bis Phosphatidic Acid (LPBA) accumulation in multi-vesicular bodies (MVB) of a cell for use for inhibiting i) cell-to-cell transmission of a Human Immunodeficiency Virus (HIV), and/or ii) entry of HIV into a cell, in an individual in need thereof. The invention further relates to products comprising a compound inducing LPBA accumulation in multi-vesicular bodies of a cell and an anti-HIV agent as combination products for simultaneous, sequential or separated use for the treatment and/or prevention of an infection with a HIV virus.
• Pyrrolidine inhibitors of human cytosolic phospholipase A2. Part 2
  作者：Kaoru Seno、Takayuki Okuno、Koichi Nishi、Yasushi Murakami、Katsutoshi Yamada、Shozo Nakamoto、Takashi Ono

  DOI：10.1016/s0960-894x(01)00003-8

  日期：2001.2

  We synthesized a potent and crystallized human cytosolic phospholipase A(2)alpha inhibitor, pyrrophenone (6) which inhibits the isolated enzyme with an IC50 value of 4.2 nM. Pyrrophenone shows potent inhibition of arachidonic acid release, prostaglandin E-2, thromboxane B-2, and leukotriene B-4 formation in human whole blood. The magnitudes of prostaglandin E-2 and thromboxane B-2 inhibition are the same as those of indomethacin. (C) 2001 Elsevier Science Ltd. All rights reserved.