7,7-difluoro-16S,20-dimethyl-18,19-didehydro prostaglandin I₂ | 788799-13-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 7,7-difluoro-16S,20-dimethyl-18,19-didehydro prostaglandin I₂
• 英文别名: AFP-07；AFP-07 free acid；(5Z)-5-[(3aR,4R,5R,6aS)-3,3-difluoro-5-hydroxy-4-[(E,3S,4S)-3-hydroxy-4-methylnon-1-en-6-ynyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-ylidene]pentanoic acid
• CAS: 788799-13-3
• 化学式: C₂₂H₃₀F₂O₅
• 分子量: 412.474
• InChiKey: PVHIRYQSPDZLLG-JFEAKWICSA-N

物化性质

• 沸点：
  557.8±50.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)
• 溶解度：
  DMF：30mg/mL； DMSO：25mg/mL；乙醇：30mg/mL； PBS（pH 7.2）：1 mg/mL

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  87
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  (3aR,4R,5R,6aS)-hexahydro-2-oxo-5-<(tetrahydro-2H-pyran-2-yl)oxy>-2H-cyclopentafuran-4-carboxaldehyde 在 咪唑 、 manganese(II) bromide 、 sodium hexamethyldisilazane 、 双(三甲基硅烷基)氨基钾 、 sodium hydride 、 二异丁基铝-2,6-二-叔丁基-4-羟基甲苯 、 对甲苯磺酸 、 溶剂黄146 、 N-氟代双苯磺酰胺 作用下， 以 四氢呋喃 、 甲醇 、 乙二醇二甲醚 、 N,N-二甲基甲酰胺 为溶剂， 生成 7,7-difluoro-16S,20-dimethyl-18,19-didehydro prostaglandin I₂
  参考文献：
  名称：

  Synthesis and Biological Properties of Novel Fluoroprostaglandin Derivatives: Highly Selective and Potent Agonists for Prostaglandin Receptors

  摘要：

  将合成新的7,7-二氟前列环素和15-去氧-15,15-二氟-PGF2?衍生物的结果将被展示。这些化合物表现出对前列腺素受体的高亲和力和强效的生物活性。

  DOI：

  10.2533/000942904777678073

文献信息

• Pulmonary hypertension treatment
  申请人：Sonivie Ltd.

  公开号：US11318331B2

  公开（公告）日：2022-05-03

  Disclosed herein is a therapeutically active agent usable in the treatment of pulmonary arterial hypertension (PAH), for use in the treatment of pulmonary arterial hypertension, as well as methods of treating PAH, said treatment and methods comprising administering such an active agent and effecting pulmonary artery denervation in the subject. In some aspects, a sub-therapeutically effective amount of the active agent is administered. In some aspects, the method is devoid of administering such an active agent for at least one month subsequent to the denervation. Further disclosed is a method of treating PAH comprising determining a responsiveness of the subject to at least one therapeutically active agent usable in treating PAH; and effecting pulmonary artery denervation in a subject responsive to the active agent(s).

  本文公开了一种可用于治疗肺动脉高压（PAH）的治疗活性剂，用于治疗肺动脉高压以及治疗 PAH 的方法，所述治疗和方法包括施用这种活性剂并对受试者实施肺动脉去神经化。在某些方面，施用亚治疗有效量的活性剂。在某些方面，该方法在去神经化后至少一个月内不施用这种活性剂。进一步公开了一种治疗 PAH 的方法，包括确定受试者对可用于治疗 PAH 的至少一种治疗活性剂的反应性；以及在对活性剂有反应的受试者中实施肺动脉去神经化。
• Difluorprostacyclins, intermediates for production thereof and processes for production thereof
  申请人：ASAHI GLASS COMPANY LTD.

  公开号：EP0669329B1

  公开（公告）日：1998-05-20
• Difluoroprostacyclins, intermediates for production thereof and processes for production thereof
  申请人：ASAHI GLASS COMPANY LTD.

  公开号：EP0789022B1

  公开（公告）日：2003-06-18
• PULMONARY HYPERTENSION TREATMENT
  申请人：Sonie Vie Ltd.

  公开号：US20200368244A1

  公开（公告）日：2020-11-26

  Disclosed herein is a therapeutically active agent usable in the treatment of pulmonary arterial hypertension (PAH), for use in the treatment of pulmonary arterial hypertension, as well as methods of treating PAH, said treatment and methods comprising administering such an active agent and effecting pulmonary artery denervation in the subject. In some aspects, a sub-therapeutically effective amount of the active agent is administered. In some aspects, the method is devoid of administering such an active agent for at least one month subsequent to the denervation. Further disclosed is a method of treating PAH comprising determining a responsiveness of the subject to at least one therapeutically active agent usable in treating PAH; and effecting pulmonary artery denervation in a subject responsive to the active agent(s).
• Synthesis and Biological Properties of Novel Fluoroprostaglandin Derivatives: Highly Selective and Potent Agonists for Prostaglandin Receptors
  作者：Yasushi Matsumuraa、Takashi Nakanob、Nobuaki Moria、Yoshitomi Morizawab

  DOI：10.2533/000942904777678073

  日期：——

  Synthesis of novel 7,7-difluoroprostacyclin and 15-deoxy-15,15-difluoro-PGF2? derivatives will be presented. These compounds show high affinity to prostaglandin receptors and potent biological activities.

  将合成新的7,7-二氟前列环素和15-去氧-15,15-二氟-PGF2?衍生物的结果将被展示。这些化合物表现出对前列腺素受体的高亲和力和强效的生物活性。