1-苯基乙醇-d9 | 19547-01-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-苯基乙醇-d9
• 英文名称: 1,2,2,2-tetradeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)ethanol
• 英文别名: <²H₉>1-phenylethanol；(+/-)-1-phenylethanol-d9；[²H₉]1-phenylethanol；1-(~2~H_5_)Phenyl(~2~H_4_)ethan-1-ol
• CAS: 19547-01-4
• 化学式: C₈H₁₀O
• 分子量: 131.095
• InChiKey: WAPNOHKVXSQRPX-KIVWUKIISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-苯基乙醇-d9 生成 苯乙烯-d8
  参考文献：
  名称：

  Tashiro, Masashi; Mataka, Shuntaro; Nakamura, Hiroshi, Journal of the Chemical Society. Perkin transactions I, 1988, p. 179 - 182

  摘要：

  DOI：
• 作为产物：
  描述：

  氘代苯 在 sodium hydroxide 、 三氯化铝 、 硼氘化钠 、 重水 作用下， 以 1,4-二氧六环 、 甲醇 、 二硫化碳 为溶剂， 反应 26.0h， 生成 1-苯基乙醇-d9
  参考文献：
  名称：

  Toward the Creation of NMR Databases in Chiral Solvents for Assignments of Relative and Absolute Stereochemistry:  Proof of Concept

  摘要：

  [GRAPHICS]An NMR database approach in a chiral solvent allows us to predict both relative and absolute stereochemistry of an unknown compound without degradation and/or derivatization, N,alpha -Dimethylbenzylamine (DMBA) is a suitable solvent for this purpose. Using the C.5-C.10 portion of oasomycin A, the feasibility and reliability of this approach is demonstrated.

  DOI：

  10.1021/ol010108z

文献信息

• [EN] HETEROCYCLIC COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES ET LEURS UTILISATIONS
  申请人：ZHANG JIAZHONG

  公开号：WO2014145051A1

  公开（公告）日：2014-09-18

  Heterocyclic compounds of formula (I), methods for their preparation, pharmaceutical compositions containing such a compound and their therapeutic uses.

  配方（I）的杂环化合物，其制备方法，含有这种化合物的药物组合物及其治疗用途。
• ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS
  申请人：HUTCHINSON John Howard

  公开号：US20100152257A1

  公开（公告）日：2010-06-17

  Described herein are compounds that are antagonists of lysophosphatidic receptor(s). Also described are pharmaceutical compositions and medicaments that include the compounds described herein, as well as methods of using such antagonists, alone and in combination with other compounds, for treating LPA-dependent or LPA-mediated conditions or diseases.

  本文描述了一些对赖氨酸磷脂酸受体具有拮抗作用的化合物。还描述了包括本文描述的化合物的药物组合物和药物，以及使用这些拮抗剂的方法，单独或与其他化合物结合，用于治疗依赖或介导赖氨酸磷脂酸的疾病或病症。
• [EN] POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF<br/>[FR] ANTAGONISTE LPA1 POLYCYCLIQUE ET UTILISATIONS DE CELUI-CI
  申请人：AMIRA PHARMACEUTICALS INC

  公开号：WO2012078805A1

  公开（公告）日：2012-06-14

  Described herein is the LPA1 antagonist 1- 4'-[3-methyl-4-((R)- l-phenyl-ethoxycarbonylamino)- isoxazol-5-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid (Compound 1), or pharmaceutically acceptable salts thereof. Also described are methods of preparing the LPA1 antagonist, or pharmaceutically acceptable salts thereof, as well as pharmaceutical compositions suitable for administration to a mammal that include the LPA1 antagonist, or pharmaceutically acceptable salt thereof, and methods of using such pharmaceutical compositions for treating LPA-dependent or LPA- mediated diseases or conditions.

  本文描述了LPA1拮抗剂1-4'-[3-甲基-4-((R)- l-苯基-乙氧羰基氨基)-异噁唑-5-基]-联苯基-4-基}-环丙烷羧酸（化合物1），或其药用盐。还描述了制备LPA1拮抗剂或其药用盐的方法，以及适用于哺乳动物的药物组合物，包括LPA1拮抗剂或其药用盐，并且使用这种药物组合物治疗依赖于LPA或LPA介导的疾病或病症的方法。
• POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS
  申请人：HUTCHINSON John Howard

  公开号：US20120015991A1

  公开（公告）日：2012-01-19

  Described herein are compounds that are antagonists of lysophosphatidic receptor(s). Also described are pharmaceutical compositions and medicaments that include the compounds described herein, as well as methods of using such antagonists, alone and in combination with other compounds, for treating LPA-dependent or LPA-mediated conditions or diseases.

  本文描述了一些抗溶血磷脂酸受体的化合物。还描述了包括上述化合物的药物组合物和药物，以及使用这些拮抗剂的方法，单独或与其他化合物组合，用于治疗LPA依赖性或LPA介导的疾病或病症。
• POLYCYCLIC LPA1 ANTAGONIST AND USES THEREOF
  申请人：Brittain Jason Edward

  公开号：US20130253023A1

  公开（公告）日：2013-09-26

  Described herein is the LPA1 antagonist 1-4′-[3-methyl-4-((R)-1-phenyl-ethoxycarbonylamino)-isoxazol-5-yl]-bi-phenyl-4-yl}-cyclopropanecarboxylic acid (Compound 1), or pharmaceutically acceptable salts thereof. Also described are methods of preparing the LPA1 antagonist, or pharmaceutically acceptable salts thereof, as well as pharmaceutical compositions suitable for administration to a mammal that include the LPA1 antagonist, or pharmaceutically acceptable salt thereof, and methods of using such pharmaceutical compositions for treating LPA-dependent or LPA-mediated diseases or conditions.

  本文描述了LPA1拮抗剂1-4′-[3-甲基-4-((R)-1-苯基-乙氧羰基氨基)-异恶唑-5-基]-联苯-4-基}-环丙烷羧酸（化合物1），或其药学上可接受的盐。还描述了制备LPA1拮抗剂或其药学上可接受的盐的方法，以及适用于给哺乳动物使用的药物组合物，包括LPA1拮抗剂或其药学上可接受的盐，并且使用这样的药物组合物治疗LPA依赖性或LPA介导的疾病或病况的方法。