1-{3-(dimethylamino)propyl}-1-(4-methoxyphenyl)-1,3-dihydro-5-isobenzofurancarbonitrile oxalate

• 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-{3-(dimethylamino)propyl}-1-(4-methoxyphenyl)-1,3-dihydro-5-isobenzofurancarbonitrile oxalate
• 英文别名: 1-[3-(dimethylamino)propyl]-1-(4-methoxyphenyl)-3H-2-benzofuran-5-carbonitrile;oxalic acid
• 化学式: C₂H₂O₄*C₂₁H₂₄N₂O₂
• 分子量: 426.469
• InChiKey: OUBXWZWDWOECHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.84
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  120
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1-{3-(dimethylamino)propyl}-1-(4-methoxyphenyl)-1,3-dihydro-5-isobenzofurancarbonitrile 、 草酸 在 正己烷 作用下， 以 乙醇 为溶剂， 反应 1.5h， 以to afford 7.1 g of the target compound as a white solid (yield: 67%)的产率得到1-{3-(dimethylamino)propyl}-1-(4-methoxyphenyl)-1,3-dihydro-5-isobenzofurancarbonitrile oxalate
  参考文献：
  名称：

  NOVEL 1,3-DIHYDRO-5-ISOBENZOFURANCARBONITRILE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR THE TREATMENT OF PREMATURE EJACULATION

  摘要：

  本文公开了一种新型的1,3-二氢-5-异苯并呋喃碳腈衍生物，其化学式为1，或其药学上可接受的盐。同时，本文还公开了一种用于治疗或预防早泄的制药组合物，其中包括该化合物。这些1,3-二氢-5-异苯并呋喃碳腈衍生物具有短的半衰期，并通过选择性抑制存在于突触前神经元中的5-羟色胺再摄取转运体，从而抑制射精过程。因此，这些化合物在早泄的治疗和预防方面具有用途。

  公开号：

  US20100240725A1

文献信息

• NOVEL 1,3-DIHYDRO-5-ISOBENZOFURANCARBONITRILE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR THE TREATMENT OF PREMATURE EJACULATION
  申请人：Lee Yeong Geon

  公开号：US20100240725A1

  公开（公告）日：2010-09-23

  Disclosed herein are novel 1,3-dihydro-5-isobenzofurancarbonitrile derivatives represented by Formula 1, or pharmaceutically acceptable salts thereof. Also disclosed is a pharmaceutical composition for treating or preventing premature ejaculation including the compound. The 1,3-dihydro-5-isobenzofurancarbonitrile derivatives have a short half-life and inhibit the ejaculation process by selectively inhibiting serotonin reuptake via a serotonin reuptake transporter present in a presynaptic neuron. Thus, the compounds are useful in the treatment and prevention of premature ejaculation.

  本文披露了一种新颖的由式1表示的1,3-二氢-5-异苯并呋喃腈衍生物，或其药学上可接受的盐。还披露了一种治疗或预防早泄的药物组合物，包括该化合物。1,3-二氢-5-异苯并呋喃腈衍生物具有短半衰期，并通过选择性地通过存在于突触前神经元中的5-羟色胺再摄取转运体抑制5-羟色胺再摄取来抑制射精过程。因此，这些化合物在早泄的治疗和预防中是有用的。
• US8242159B2
  申请人：——

  公开号：US8242159B2

  公开（公告）日：2012-08-14
• [EN] NOVEL 1,3-DIHYDRO-5-ISOBENZOFURANCARBONITRILE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR THE TREATMENT OF PREMATURE EJACULATION<br/>[FR] NOUVEAUX DÉRIVÉS DE 1,3-DIHYDRO-5-ISOBENZOFURANCARBONITRILE ET COMPOSITION PHARMACEUTIQUES LES RENFERMANT POUR LE TRAITEMENT DE L'ÉJACULATION PRÉCOCE
  申请人：DONG A PHARM CO LTD

  公开号：WO2009057974A2

  公开（公告）日：2009-05-07

  Disclosed herein are novel l,3-dihydro-5-isobenzofurancarbonitrile derivatives represented by Formula 1, or pharmaceutically acceptable salts thereof. Also disclosed is a pharmaceutical composition for treating or preventing premature ejaculation including the compound. The l,3-dihydro-5-isobenzofurancarbonitrile derivatives have a short half- life and inhibit the ejaculation process by selectively inhibiting serotonin reuptake via a serotonin reuptake transporter present in a presynaptic neuron. Thus, the compounds are useful in the treatment and prevention of premature ejaculation.
• 1,3-dihydro-5-isobenzofurancarbonitrile derivatives and pharmaceutical composition thereof for the treatment of premature ejaculation
  申请人：Dong-A Pharmaceutical. Co., Ltd

  公开号：US08242159B2

  公开（公告）日：2012-08-14

  Disclosed herein are novel 1,3-dihydro-5-isobenzofurancarbonitrile derivatives represented by Formula 1, or pharmaceutically acceptable salts thereof. Also disclosed is a pharmaceutical composition for treating or preventing premature ejaculation including the compound. The 1,3-dihydro-5-isobenzofurancarbonitrile derivatives have a short half-life and inhibit the ejaculation process by selectively inhibiting serotonin reuptake via a serotonin reuptake transporter present in a presynaptic neuron. Thus, the compounds are useful in the treatment and prevention of premature ejaculation.

  本文揭示了一种由式1所代表的新型1,3-二氢-5-异苯并呋喃-碳腈衍生物，或其药学上可接受的盐。同时还揭示了一种用于治疗或预防早泄的药物组合物，包括该化合物。这些1,3-二氢-5-异苯并呋喃-碳腈衍生物具有短的半衰期，并通过选择性抑制存在于突触前神经元中的5-羟色胺再摄取转运体，从而抑制射精过程。因此，这些化合物在早泄的治疗和预防中是有用的。