(S)-2-(2-naphthoxy)propanoic acid | 25258-16-6

• 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: (S)-2-(2-naphthoxy)propanoic acid
• 英文别名: (R)-2-(2-Naphthoxy)propionsaeure；2-(2-naphthyloxy)propanoic acid；(S)-2-[2]naphthyloxy-propionic acid；(S)-2-[2]Naphthyloxy-propionsaeure；(2S)-2-(naphthalen-2-yloxy)propanoic acid；(2S)-2-naphthalen-2-yloxypropanoic acid
• CAS: 25258-16-6
• 化学式: C₁₃H₁₂O₃
• mdl: MFCD24479576
• 分子量: 216.236
• InChiKey: HMIVVAPMRQMNAK-VIFPVBQESA-N

物化性质

• 熔点：
  107-108 °C
• 沸点：
  389.7±15.0 °C(Predicted)
• 密度：
  1.231±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.153
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (S)-2-(2-naphthoxy)propanoic acid 、 potassium thioacyanate 、 二乙胺 生成 (-)-S-2--propionsaeure-
  参考文献：
  名称：

  Djerassi,C. et al., Acta Chemica Scandinavica (1947), 1962, vol. 16, p. 1147 - 1158

  摘要：

  DOI：
• 作为产物：
  描述：

  2-(2-萘氧基)丙酸 以19%的产率得到
  参考文献：
  名称：

  TSUDA, YOSHIKO, CHEM. AND PHARM. BULL., 35,(1987) N 6, 2554-2557

  摘要：

  DOI：

文献信息

• Compounds For The Treatment Of Neuromuscular Disorders
  申请人：NMD Pharma ApS

  公开号：US20190185409A1

  公开（公告）日：2019-06-20

  The present invention relates to compounds suitable for treating, ameliorating and/or preventing neuromuscular disorders, including the reversal of drug-induced neuromuscular blockade. The compounds as defined herein preferably inhibit the ClC-1 ion channel. The compounds include phenoxy propanoic acid, phenoxy propanoate, and phenoxy butanoate compounds.

  本发明涉及适用于治疗、改善和/或预防神经肌肉障碍的化合物，包括逆转药物诱导的神经肌肉阻滞。本说明中定义的化合物优选抑制ClC-1离子通道。这些化合物包括苯氧基丙酸、苯氧基丙酸酯和苯氧基丁酸酯化合物。
• Compounds for the treatment of neuromuscular disorders
  申请人：NMD Pharma ApS

  公开号：US10385028B2

  公开（公告）日：2019-08-20

  The present invention relates to compounds suitable for treating, ameliorating and/or preventing neuromuscular disorders, including the reversal of drug-induced neuromuscular blockade. The compounds as defined herein preferably inhibit the CIC-1 ion channel.

  本发明涉及适用于治疗、改善和/或预防神经肌肉疾病的化合物，包括逆转药物诱导的神经肌肉阻滞。本文定义的化合物优选抑制 CIC-1 离子通道。
• Compounds for use in treating neuromuscular disorders
  申请人：NMD PHARMA A/S

  公开号：US10934244B2

  公开（公告）日：2021-03-02

  The present invention relates to compositions comprising compounds for use in treating, ameliorating and/or preventing neuromuscular disorders. The compounds as defined herein preferably inhibit the ClC-1 ion channel. The invention further relates to methods of treating, preventing and/or ameliorating neuromuscular disorders, by administering said composition to a person in need thereof.

  本发明涉及包含用于治疗、改善和/或预防神经肌肉疾病的化合物的组合物。本文定义的化合物优选抑制 ClC-1 离子通道。本发明进一步涉及治疗、预防和/或改善神经肌肉疾病的方法，方法是将所述组合物施用给有需要的人。
• Trichosporon beigelli esterase (TBE): a versatile esterase for the resolution of economically important racemates
  作者：Surrinder Koul、Jawahir Lal Koul、Budh Singh、Munish Kapoor、Rajinder Parshad、Kuldeep S. Manhas、Subhash C. Taneja、Ghulam N. Qazi

  DOI：10.1016/j.tetasy.2005.07.009

  日期：2005.8

  A hydrolase producing strain Trichosporon beigelli esterase (TBE) isolated from local cottage cheese in its native form has displayed versatility and high efficacy in the kinetic resolution of a wide range of economically important substrates, which include racemic secondary alcohols, such as 1-(6-methoxy-2-naphtliyl)ethanol (E similar to 316), 1-(3,4-methylenedioxyphenyl)ethanol and pentanol (E similar to 180 and 156 resp.), and alkyl esters of carboxylic acids such as ibuprofen (E similar to 340), 2-(benzylthio)propanoic acid (E similar to 1000). In other substrates such as in the primary alcohol 2-(6-methoxy-2-naphthyl)propan-1-ol and carboxylic acids such as 2-(5-bromo-6-methoxy-2-naphthyl)propanoic acid, 2-(2-naphthyloxy)propanoic acid, and substituted 2-thiopropanoic acids, it displayed moderate to low selectivity. Commercial lipases such as CCL, PPL, and PSL were also used in the resolution of the substrates for comparative studies. (c) 2005 Elsevier Ltd. All rights reserved.
• Burkard, Ulrike; Effenberger, Franz, Chemische Berichte, 1986, vol. 119, # 5, p. 1594 - 1612
  作者：Burkard, Ulrike、Effenberger, Franz

  DOI：——

  日期：——