4,5-dimethyl-octanoic acid | 102877-57-6

• 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: 4,5-dimethyl-octanoic acid
• 英文别名: 4,5-Dimethyl-octansaeure；4,5-dimethyloctanoic Acid
• CAS: 102877-57-6
• 化学式: C₁₀H₂₀O₂
• 分子量: 172.268
• InChiKey: XDXGYWWRGNESEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,5-dimethyl-octanoic acid 生成 Methyl 4,5-dimethyloctanoate
  参考文献：
  名称：

  REZANKA, T.;KREN, V.;SAJDL, P.;REHACEK, Z., J. NATUR. PROD., 50,(1987) N 2, 335

  摘要：

  DOI：
• 作为产物：
  描述：

  4,5-二甲基辛烷-1-醇 在 potassium permanganate 、 硫酸 作用下， 生成 4,5-dimethyl-octanoic acid
  参考文献：
  名称：

  Crombie et al., Journal of the Chemical Society, 1957, p. 479,485

  摘要：

  DOI：

文献信息

• INACTIVATORS OF TOXOPLASMA GONDII ORNITHINE AMINOTRANSFERASE FOR TREATING TOXOPLASMOSIS AND MALARIA
  申请人：Northwestern University

  公开号：US20180098952A1

  公开（公告）日：2018-04-12

  Disclosed are methods, compounds, and compositions for treating infection by an Apicomplexan parasite that include administering a compound that selectively inactivates ornithine aminotransferase of the Apicomplexan parasite. Specifically, the methods, compounds, compounds may be utilized for treating infection by Toxoplasma gondii and toxoplasmosis and for treating infection by Plasmodium falciparum and malaria. The compounds disclosed herein are observed to selectively inactivate Toxoplasma gondii ornithine aminotransferase (TgOAT) relative to human OAT and relative to human γ-aminobutyric aminotransferase (GABA-AT).

  揭示了一种治疗具有选择性灭活裂殖孢子虫的鸟氨基转移酶的化合物、方法和组合物。具体来说，这些方法、化合物可用于治疗弓形虫和弓形虫病感染，以及治疗疟原虫和疟疾感染。本文披露的化合物被观察到相对于人类鸟氨基转移酶和人类γ-氨基丁酸氨基转移酶（GABA-AT）具有选择性地灭活弓形虫鸟氨基转移酶（TgOAT）。
• Inactivators of Toxoplasma gondii ornithine aminotransferase for treating toxoplasmosis and malaria
  申请人：Northwestern University

  公开号：US10632088B2

  公开（公告）日：2020-04-28

  Disclosed are methods, compounds, and compositions for treating infection by an Apicomplexan parasite that include administering a compound that selectively inactivates ornithine aminotransferase of the Apicomplexan parasite. Specifically, the methods, compounds, compounds may be utilized for treating infection by Toxoplasma gondii and toxoplasmosis and for treating infection by Plasmodium falciparum and malaria. The compounds disclosed herein are observed to selectively inactivate Toxoplasma gondii ornithine aminotransferase (TgOAT) relative to human OAT and relative to human γ-aminobutyric aminotransferase (GABA-AT).

  本发明公开了治疗弓形虫感染的方法、化合物和组合物，其中包括施用选择性灭活弓形虫鸟氨酸氨基转移酶的化合物。具体来说，这些方法、化合物可用于治疗弓形虫感染和弓形虫病，以及恶性疟原虫感染和疟疾。据观察，相对于人类鸟氨酸氨基转移酶（OAT）和人类γ-氨基丁酸氨基转移酶（GABA-AT），本文公开的化合物可选择性地灭活弓形虫鸟氨酸氨基转移酶（TgOAT）。
• SUBSTITUTED PYRIDYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS
  申请人：Pfizer Inc.

  公开号：EP2069302A1

  公开（公告）日：2009-06-17
• IONIC LIQUIDS FOR DRUG DELIVERY
  申请人：President And Fellows Of Harvard College

  公开号：EP3946261A1

  公开（公告）日：2022-02-09
• [EN] SUBSTITUTED PYRIDYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS<br/>[FR] COMPOSÉS DE PYRIDIYLMÉTHYLE BICYCLOCARBOXYAMIDE SUBSTITUÉ
  申请人：PFIZER JAPAN INC

  公开号：WO2008032204A1

  公开（公告）日：2008-03-20

  [EN] This invention provides a compound of the formula (I): wherein A¹ is N and A² is CR⁷, or A¹ is CR⁷ and A² is N; Y¹, Y² and Y³ are each independently CH or N, Y⁴ and Y⁵ are each independently CR⁸ or N, with the proviso that when one of Y¹, Y², Y³, Y⁴ and Y⁵ is N, the others are not N; R¹ and R² are each independently hydrogen, halogen, (C₁-C₆)alkyl, halo(C₁-C₆)alkyl or hydroxy(C₁-C₆)alkyl; R³ and R⁸ are each independently hydrogen, halogen, hydroxy, (C₁-C₆)alkyl, hydroxy(C₁-C₆)alkoxy, (C₁-C₆)alkoxy-(C₁-C₆)alkyl, (C₁-C₆)alkoxy-(C₁-C₆)alkoxy, halo(C₁-C₆)alkyl, (C₁-C₆)alkylthio, (C₁-C₆)alkylsulfinyl or (C₁-C₆)alkylsulfonyl; R⁴ is halogen, (C₁-C₆)alkyl, (C₃-C₆)cycloalkyl, halo(C₁-C₆)alkyl, hydroxy(C₁-C₆)alkyl, halo(C₁-C₆)alkoxy, hydroxy(C₁-C₆)alkoxy, (C₁-C₆)alkoxy-(C₁-C₆)alkyl, (C₁-C₆)aIkoxy-(C₁-C₆)alkoxy, halo(C₁-C₆)alkylsuIfonyl, halo(C₁-C₆)alkylsulfinyl, halo(C₁-C₆)alkylthio, [(C₁-C₆)alkyl]NH- or [(C₁-C₆)alkyl]₂N-; and R⁵, R⁶ and R⁷ are each independently hydrogen, halogen, (C₁-C₆)alkyl, hydroxy(C₁-C₆)alkyI, or (C₁-C₆)alkoxy; or a pharmaceutically acceptable salt, solvate thereof. These compounds are useful for the treatment of disease conditions caused by overactivation of the VR1 receptor such as pain, or the like in mammal. This invention also provides a pharmaceutical composition comprising the above compound.
  [FR] L'invention concerne un composé de formule (I), dans laquelle A¹ représente N et A² représente CR⁷ ou A¹ représente CR⁷ et A² représente N; Y¹, Y² et Y³ représentent chacun indépendamment CH ou N, Y⁴ et Y⁵ représentent chacun indépendamment CR⁸ ou N, pour autant que lorsque l'un des Y¹, Y², Y³, Y⁴ et Y⁵ représente N, les autres ne représentent pas N; R¹ et R² représentent chacun indépendamment hydrogène, halogène, (C₁-C₆)alkyle, halo(C₁-C₆)alkyle ou hydroxy(C₁-C₆)alkyle; R³ et R⁸ représentent chacun indépendamment hydrogène, halogène, hydroxy, (C₁-C₆)alkyle, hydroxy(C₁-C₆)alcoxy, (C₁-C₆)alcoxy-(C₁-C₆)alkyle, (C₁-C₆)alcoxy-(C₁-C₆)alcoxy, halo(C₁-C₆)alkyle, (C₁-C₆)alkylthio, (C₁-C₆)alkylsulfinyle ou (C₁-C₆)alkylsulfonyle; R⁴ représente halogène, (C₁-C₆)alkyle, (C₃-C₆)cycloalkyle, halo(C₁-C₆)alkyle, hydroxy(C₁-C₆)alkyle, halo(C₁-C₆)alcoxy, hydroxy(C₁-C₆)alcoxy, (C₁-C₆)alcoxy-(C₁-C₆)alkyle, (C₁-C₆)aIcoxy-(C₁-C₆)alcoxy, halo(C₁-C₆)alkylsuIfonyle, halo(C₁-C₆)alkylsulfinyle, halo(C₁-C₆)alkylthio, [(C₁-C₆)alkyle]NH- ou [(C₁-C₆)alkyle]₂N-; et R⁵, R⁶ et R⁷ représentent chacun indépendamment hydrogène, halogène, (C₁-C₆)alkyle, hydroxy(C₁-C₆)alkyIe, ou (C₁-C₆)alcoxy; ou un sel pharmaceutiquement acceptable, un solvate de celui-ci. Ces composés sont utilisés dans le traitement d'états pathologiques provoqués par une suractivation du récepteur VR1, par exemple la douleur, ou analogue chez un mammifère. L'invention concerne enfin une composition pharmaceutique comprenant le composé susmentionné.