(3R,4S)-4-(4-fluorobenzamido)-3,4-dihydro-2,2-dimethyl-3-hydroxy-6-(2-hydroxyacetyl)-2H-1-benzopyran | 253445-73-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: (3R,4S)-4-(4-fluorobenzamido)-3,4-dihydro-2,2-dimethyl-3-hydroxy-6-(2-hydroxyacetyl)-2H-1-benzopyran
• 英文别名: 4-fluoro-N-[(3R,4S)-3-hydroxy-6-(2-hydroxyacetyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
• CAS: 253445-73-7
• 化学式: C₂₀H₂₀FNO₅
• 分子量: 373.381
• InChiKey: BOHLKJMLZSUGQS-ZWKOTPCHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  95.9
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-[(3R,4S)-6-乙酰基-3,4-二氢-3-羟基-2,2-二甲基-2H-1-苯并吡喃-4-基]-4-氟-苯甲酰胺 、 [双(三氟乙酰氧基)碘]苯 在 三氟乙酸 作用下， 以 正己烷 、 水 、 乙腈 为溶剂， 以24%的产率得到(3R,4S)-4-(4-fluorobenzamido)-3,4-dihydro-2,2-dimethyl-3-hydroxy-6-(2-hydroxyacetyl)-2H-1-benzopyran
  参考文献：
  名称：

  Substituted benzopyran derivatives and their use as anticonvulsants

  摘要：

  这项发明涉及6-(羟基烷酰基)苯并吡喃及其作为抗癫痫药物的用途。

  公开号：

  US06395909B1

文献信息

• Lipids
  申请人：CELLTECH R & D LIMITED

  公开号：US20040024220A1

  公开（公告）日：2004-02-05

  Bipolar lipids are described which are able to form complexes with polyanions. The lipids comprise a cationic head linked to a hydrophobic backbone and a hydrophilic tail and are capable of self assembly to form stable complexes in aqueous solutions. The lipids are of particular use for the delivery of bioactive substances such as nucleic acids to cells in vitro and especially in vivo.

  描述了一种能够与多聚阴离子形成复合物的双极脂质。这些脂质包括一个带正电的头部，连接到一个疏水主链和一个亲水尾部，并能够自组装形成稳定的复合物在水溶液中。这些脂质特别适用于将生物活性物质如核酸传递给体内和体外的细胞。
• SUBSTITUTED BENZOPYRAN DERIVATIVES AND THEIR USE AS ANTICONVULSANTS
  申请人：SMITHKLINE BEECHAM PLC

  公开号：EP1091950A1

  公开（公告）日：2001-04-18
• US6395909B1
  申请人：——

  公开号：US6395909B1

  公开（公告）日：2002-05-28
• [EN] SUBSTITUTED BENZOPYRAN DERIVATIVES AND THEIR USE AS ANTICONVULSANTS<br/>[FR] DERIVES DE BENZOPYRANE SUBSTITUE ET LEUR UTILISATION COMME AGENTS ANTI-CONVULSIFS
  申请人：SMITHKLINE BEECHAM PLC

  公开号：WO2000000484A1

  公开（公告）日：2000-01-06

  This invention relates to 6-(hydroxyalkylcarbonyl) benzopyrans of general formula (I), processes for their preparation, their anti-convulsant properties, and their potential use in the treatment and/or prevention of anxiety, mania, depression, panic disorders and/or aggression, disorders associated with a subarachnoid haemorrhage or neural shock, the effects associated with withdrawal from substances of abuse such as cocaine, nicotine, alcohol and benzodiazepines, disorders treatable and/or preventable with anti-convulsive agents, such as epilepsy including post-traumatic epilepsy, Parkinson's disease, psychosis, migraine, cerebral ischaemia, Alzheimer's disease and other degenerative diseases such as Huntingdon's chorea, schizophrenia, obsessive compulsive disorders (OCD), neurological deficits associated with AIDS, sleep disorders (including circadian rhythm disorders, insomnia and narcolepsy), tics (e.g. Giles de la Tourette's syndrome), traumatic brain injury, tinnitus, neuralgia, especially trigeminal neuralgia, neuropathic pain, dental pain, cancer pain, inappropriate neuronal activity resulting in neurodysthesias in diseases such as diabetes, multiple sclerosis (MS) and motor neurone disease, amyotrophic lateral sclerosis (ALS), ataxias, muscular rigidity (spasticity), and/or temporomandibular joint dysfunction.