2-isopropyl-nonanoic acid | 116988-32-0

• 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: 2-isopropyl-nonanoic acid
• 英文别名: 2-Isopropyl-pelargonsaeure；2-Methyl-decan-carbonsaeure-(3)；2-Isopropyl-nonansaeure；2-(1-Methylethyl)nonanoic acid；2-propan-2-ylnonanoic acid
• CAS: 116988-32-0
• 化学式: C₁₂H₂₄O₂
• 分子量: 200.321
• InChiKey: VKCQHIOLPAHDPV-UHFFFAOYSA-N

物化性质

• 沸点：
  133-134 °C(Press: 4 Torr)
• 密度：
  0.9429 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  14
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  heptyl-isopropyl-malonic acid diethyl ester 生成 2-isopropyl-nonanoic acid
  参考文献：
  名称：

  Armendt; Adams, Journal of the American Chemical Society, 1930, vol. 52, p. 1290

  摘要：

  DOI：

文献信息

• [EN] TREATMENT OF ANXIETY DISORDERS AND AUTISM SPECTRUM DISORDERS<br/>[FR] TRAITEMENT DES TROUBLES DE L'ANXIÉTÉ ET DES TROUBLES DU SPECTRE AUTISTIQUE
  申请人：RUGEN HOLDINGS CAYMAN LTD

  公开号：WO2016049048A1

  公开（公告）日：2016-03-31

  Disclosed are methods for treating autism spectrum disorders and/or anxiety disorders by administering certain NR2B subunit-selective NMDA (N methyl-D aspartate) antagonists. Anxiety disorders include agoraphobia (with or without panic disorder), generalized anxiety disorder (GAD), social anxiety disorder (SAD), panic disorder (PD), post-traumatic stress disorder (PTSD) and obsessive-compulsive disorder (OCD).

  本文披露了通过给予特定NR2B亚单位选择性NMDA（N-甲基-D-天冬氨酸）拮抗剂来治疗自闭症谱系障碍和/或焦虑障碍的方法。焦虑障碍包括广场恐惧症（伴有或不伴有惊恐障碍）、广泛性焦虑障碍（GAD）、社交焦虑障碍（SAD）、惊恐障碍（PD）、创伤后应激障碍（PTSD）和强迫症（OCD）。
• Mitotic kinesin inhibitors
  申请人：Coleman J. Paul

  公开号：US20050038074A1

  公开（公告）日：2005-02-17

  The present invention relates to dihydropyrrole compounds that are useful for treating cellular proliferative diseases, for treating disorders associated with KSP kinesin activity, and for inhibiting KSP kinesin. The invention is also related to compositions which comprise these compounds, and methods of using them to treat cancer in mammals.

  本发明涉及对治疗细胞增殖性疾病、治疗与KSP动力蛋白活性相关的疾病以及抑制KSP动力蛋白的二氢吡咯化合物。该发明还涉及包含这些化合物的组合物，以及利用它们治疗哺乳动物癌症的方法。
• [EN] CRYSTALLINE FORMS OF MODULATORS OF CFTR<br/>[FR] FORMES CRISTALLINES DE MODULATEURS DE CFTR
  申请人：VERTEX PHARMA

  公开号：WO2019191620A1

  公开（公告）日：2019-10-03

  Crystalline Forms of Compound (I); crystalline Forms of Compound (II) and crystalline forms of pharmaceutically acceptable salts of any of the foregoing are disclosed. Pharmaceutical compositions comprising the same, methods of treating cystic fibrosis using the same, and methods for making the same are also disclosed.

  化合物(I)的晶体形式；化合物(II)的晶体形式以及上述任何化合物的药用可接受盐的晶体形式被披露。还披露了包含相同化合物的药用组合物，使用相同化合物治疗囊性纤维化的方法，以及制备相同化合物的方法。
• TASTE MODULATOR AND METHOD OF USE THEREOF
  申请人：International Flavors & Fragrances Inc.

  公开号：US20150104398A1

  公开（公告）日：2015-04-16

  The present invention is directed to a novel taste-masking composition comprising a taste-masking effective amount of an Angelica root extract, which shows unexpected effectiveness in reducing an undesirable taste in a food product (e.g., a beverage, broth, or whole grain food product), a dental product, an oral hygiene product or a medicinal product.

  本发明涉及一种新型掩味组合物，包括一定量的Angelica根提取物，该提取物在减少食品产品（例如饮料、汤、全谷食品产品）、口腔产品、口腔卫生产品或药品中的不良味道方面表现出意想不到的有效性。
• [EN] OPTICALLY ACTIVE PDE10 INHIBITOR<br/>[FR] INHIBITEUR DE PDE10 OPTIQUEMENT ACTIF
  申请人：OMEROS CORP

  公开号：WO2015167968A1

  公开（公告）日：2015-11-05

  The present invention is directed to a pure enantiomer of 1-(5-(4-chloro-3,5-dimethoxyphenyl)furan-2-yl)-2-ethoxy-2-(4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl)ethanone, in particular, (S)-1-(5-(4-chloro-3,5-dimethoxyphenyl)furan-2-yl)-2-ethoxy-2-(4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl)ethanone. The present invention is also directed a crystal structure of (S)-1-(5-(4-chloro-3,5-dimethoxyphenyl)furan-2-yl)-2-ethoxy-2-(4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl)ethanone, a pharmaceutical composition of (S)-1-(5-(4-chloro-3,5-dimethoxyphenyl)furan-2-yl)-2-ethoxy-2-(4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl)ethanone, a method of inhibiting PDE10 with (S)-1-(5-(4-chloro-3,5-dimethoxyphenyl)furan-2-yl)-2-ethoxy-2-(4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl)ethanone, and a process and particular individual intermediates used in the production of (S)-1-(5-(4-chloro-3,5-dimethoxyphenyl)furan-2-yl)-2-ethoxy-2-(4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl)ethanone.

  本发明涉及(S)-1-(5-(4-氯-3,5-二甲氧基苯基)呋喃-2-基)-2-乙氧基-2-(4-(5-甲基-1,3,4-噻二唑-2-基)苯基)乙酮的纯对映体，具体而言，(S)-1-(5-(4-氯-3,5-二甲氧基苯基)呋喃-2-基)-2-乙氧基-2-(4-(5-甲基-1,3,4-噻二唑-2-基)苯基)乙酮。本发明还涉及(S)-1-(5-(4-氯-3,5-二甲氧基苯基)呋喃-2-基)-2-乙氧基-2-(4-(5-甲基-1,3,4-噻二唑-2-基)苯基)乙酮的晶体结构，(S)-1-(5-(4-氯-3,5-二甲氧基苯基)呋喃-2-基)-2-乙氧基-2-(4-(5-甲基-1,3,4-噻二唑-2-基)苯基)乙酮的药物组合物，使用(S)-1-(5-(4-氯-3,5-二甲氧基苯基)呋喃-2-基)-2-乙氧基-2-(4-(5-甲基-1,3,4-噻二唑-2-基)苯基)乙酮抑制PDE10的方法，以及在(S)-1-(5-(4-氯-3,5-二甲氧基苯基)呋喃-2-基)-2-乙氧基-2-(4-(5-甲基-1,3,4-噻二唑-2-基)苯基)乙酮的生产中使用的过程和特定个体中间体。