3,4-tridecanediol | 1172591-22-8

• 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: 3,4-tridecanediol
• 英文别名: tridecane-3,4-diol
• CAS: 1172591-22-8
• 化学式: C₁₃H₂₈O₂
• 分子量: 216.364
• InChiKey: WLOFFYNHESQKJH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  15
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-hydroxytridecan-4-one 在 sodium tetrahydroborate 、 硫酸 作用下， 以 甲醇 为溶剂， 以56%的产率得到3,4-tridecanediol
  参考文献：
  名称：

  Small molecule probes of the receptor binding site in the Vibrio cholerae CAI-1 quorum sensing circuit

  摘要：

  Based on modification of separate structural features of the Vibrio cholerae quorum sensing signal, (S)-3-hydroxytridecan-4-one (CAI-1), three focused compound libraries have been synthesized and evaluated for biological activity. Modifications to the acyl tail and alpha-hydroxy ketone typically provided agonists with activities correlated to tail length and conservative changes to the hydroxy ketone. Among the molecules identified within this collection of agonists is Am-CAI-1 (B11), which is among the most potent agonists reported to date with an EC50 of 0.21 mu M. Modifications to the ethyl side chain delivered molecules with both agonist and antagonist activity, including m-OH-Ph-CAI-1 (C13) which is the most potent antagonist reported to date with an IC50 of 36 mu M. The molecules described in this manuscript are anticipated to serve as valuable tools in the study of quorum sensing in Vibrio cholerae and provide new leads in the development of an antivirulence therapy against this human pathogen. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.09.021

文献信息

• [EN] COMPOSITIONS COMPRISING (BIO)-ALKANEDIOLS WITH ANTIMICROBIALS FOR PRODUCT PROTECTION<br/>[FR] COMPOSITIONS COMPRENANT DES (BIO)-ALCANEDIOLS AVEC DES ANTIMICROBIENS POUR LA PROTECTION DE PRODUITS
  申请人：[en]SYMRISE AG

  公开号：WO2022122135A1

  公开（公告）日：2022-06-16

  The present invention relates to a composition comprising or consisting of a synergistic combination of an effective amount of antimicrobial component and an effective amount of 1,2-heptanediol and/or 2,3-heptanediol or of a specific alkanediol or a mixture of two or more different specific alkanediols. Furthermore, the present invention relates to food, cosmetic or pharmaceutical preparations comprising said composition. Additionally, the present invention refers to the use of said composition for suppressing or inhibiting microorganism growth in food, in a cosmetic or in a pharmaceutical preparation. Additionally, the present invention relates to the use of 1,2-heptanediol or of a specific alkanediol or a mixture of two or more different specific alkanediols in an effective amount for boosting the efficacy of an antimicrobial active component. Finally, the present invention relates to a method for suppressing or inhibiting of microorganism growth in food, in a cosmetic or in a pharmaceutical preparation.
• [EN] COMPOSITIONS COMPRISING ONE OR MORE (BIO)-ALKANEDIOLS WITH ACTIVE INGREDIENTS<br/>[FR] COMPOSITIONS COMPRENANT UN OU PLUSIEURS (BIO)-ALCANEDIOLS AVEC DES PRINCIPES ACTIFS
  申请人：[en]SYMRISE AG

  公开号：WO2022122140A1

  公开（公告）日：2022-06-16

  The present invention relates to a cosmetic or pharmaceutical, preferably dermatological, composition comprising or consisting of a specific lipophilic active component and an effective amount of a 1,2-heptanediol and/or 2,3-heptanediol or of a specific alkanediol or a mixture of two or more different specific alkanediols and said compositions for personal care, or as a pharmaceutical or for animal care. Additionally, the present invention relates to the use of 1,2-heptanediol and/or 2,3-heptanediol or of a specific alkanediol or a mixture of two or more different specific alkanediols for improving the solubility of a specific lipophilic active component in a cosmetic or pharmaceutical composition. Finally, the present invention relates to the use of 1,2-heptanediol and/or 2,3-heptanediol or of a specific alkanediol or a mixture of two or more different specific alkanediols as solubilizer replacer in a cosmetic or pharmaceutical composition.
• [EN] COMPOSITIONS COMPRISING LIPOPHILIC COMPOUNDS AND ONE OR MORE (BIO)-ALKANEDIOLS<br/>[FR] COMPOSITIONS COMPRENANT DES COMPOSÉS LIPOPHILES ET UN OU PLUSIEURS (BIO)-ALCANEDIOLS
  申请人：[en]SYMRISE AG

  公开号：WO2022122885A1

  公开（公告）日：2022-06-16

  The present invention relates to a cosmetic or pharmaceutical, preferably dermatological, composition comprising or consisting of a liquid lipophilic component and an effective amount of 1,2-heptanediol and/or 2,3-heptanediol or of a specific alkanediol or a mixture of two or more different specific alkanediols and the use of said compositions as a cosmetic, for personal care, as a pharmaceutical or for animal care. Additionally, the present invention relates to the use of 1,2-heptanediol and/or 2,3- heptanediol or of a specific alkanediol or of a mixture of two or more different specific alkanediols for improving the sensory properties, i.e. skin sensation, of a cosmetic or pharmaceutical composition upon topical application, or as silicone replacer.
• [EN] COMPOSITIONS COMPRISING NATURAL POLYMERS AND ONE OR MORE (BIO)-ALKANEDIOLS<br/>[FR] COMPOSITIONS COMPRENANT DES POLYMÈRES NATURELS ET UN OU PLUSIEURS (BIO)-ALCANEDIOLS
  申请人：[en]SYMRISE AG

  公开号：WO2022122890A1

  公开（公告）日：2022-06-16

  The present invention relates to a cosmetic or pharmaceutical, preferably dermatological, composition or a homecare product comprising or consisting of a natural polymer and an effective amount of 1,2-heptanediol and/or 2,3-heptanediol or of a specific alkanediol or a mixture of two or more different specific alkanediols and said compositions for personal care, as a pharmaceutical, for animal care or for homecare. Additionally, the present invention relates to the use of 1,2-heptanediol and/or 2,3-heptanediol or of a specific alkanediol or a mixture of two or more different specific alkanediols in an effective amount for reducing antimicrobial load of a natural polymer and/or as an antimicrobial replacer. Finally, the present invention relates to a method for reducing antimicrobial load of a cosmetic or pharmaceutical composition or homecare product comprising a natural polymer.
• [EN] COMPOSITIONS COMPRISING ONE OR MORE (BIO)-ALKANEDIOLS WITH ACTIVE INGREDIENTS<br/>[FR] COMPOSITIONS COMPRENANT UN OU PLUSIEURS (BIO)-ALCANEDIOLS AVEC PRINCIPES ACTIFS
  申请人：[en]SYMRISE AG

  公开号：WO2022122935A1

  公开（公告）日：2022-06-16

  The present invention relates to a cosmetic or pharmaceutical, preferably dermatological, composition or homecare product comprising or consisting of a specific lipophilic active component and an effective amount of a 1,2-heptanediol and/or 2,3-heptanediol or of a specific alkanediol or a mixture of two or more different specific alkanediols and said compositions for personal care, or as a pharmaceutical or for animal care. Additionally, the present invention relates to the use of 1,2-heptanediol and/or 2,3-heptanediol or of a specific alkanediol or a mixture of two or more different specific alkanediols for improving the solubility of a specific lipophilic active component in a cosmetic or pharmaceutical composition. Finally, the present invention relates to the use of 1,2-heptanediol and/or 2,3-heptanediol or of a specific alkanediol or a mixture of two or more different specific alkanediols as solubilizer replacer in a cosmetic or pharmaceutical composition or homecare product.