2-Butyl-2-hydroxy-hexansaeure | 45067-57-0

• 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-Butyl-2-hydroxy-hexansaeure
• 英文别名: 2-n-Butyl-2-hydroxyhexansaeure；2-butyl-2-hydroxy-hexanoic acid；5-Hydroxy-nonan-carbonsaeure-(5)；2-Hydroxy-2-butyl-capronsaeure；C.C-Dibutyl-glykolsaeure；2-butyl-2-hydroxyhexanoic acid
• CAS: 45067-57-0
• 化学式: C₁₀H₂₀O₃
• 分子量: 188.267
• InChiKey: DNBCAFOBPPRTAC-UHFFFAOYSA-N

物化性质

• 熔点：
  87-88 °C
• 沸点：
  312.3±15.0 °C(Predicted)
• 密度：
  1.013±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  13
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  重氮甲烷 、 2-Butyl-2-hydroxy-hexansaeure 生成 2-n-Butyl-2-hydroxyhexansaeuremethylester
  参考文献：
  名称：

  Cyclic peroxides. XVII. Solvolysis of dibutylmalonoyl peroxide

  摘要：

  DOI：

  10.1021/jo00798a036
• 作为产物：
  描述：

  2-ethoxyoxalyloxy-2-butyl-hexanoic acid ethyl ester 在 sodium hydroxide 作用下， 生成 2-Butyl-2-hydroxy-hexansaeure
  参考文献：
  名称：

  Reaction of Organocadmium Reagents with Ethoxalyl Chloride¹

  摘要：

  DOI：

  10.1021/ja01636a053

文献信息

• [EN] HEMI-AMINAL ETHERS AND THIOETHERS OF N-ALKENYL CYCLIC COMPOUNDS<br/>[FR] ÉTHERS ET THIOÉTHERS HÉMIAMINAUX DE COMPOSÉS CYCLIQUES N-ALCÉNYLIQUES
  申请人：ISP INVESTMENTS INC

  公开号：WO2014116560A1

  公开（公告）日：2014-07-31

  Described herein are hemi-aminal ethers and thioethers of N-alkenyl cyclic compounds that may be produced through a reaction comprising: (A) at least one first reactant represented by a structure (I), wherein X is a functionalized or unfunctionalized C1-C5 alkylene group optionally having one or more heteroatoms, and each R1, R2, and R3 is independently selected from the group consisting of hydrogen and functionalized and unfunctionalized alkyl groups optionally having one or more heteroatoms, and (B) at least one second reactant having at least one hydroxyl moiety or thiol moiety. The hemi-aminal ethers and thioethers of N-alkenyl cyclic compounds may comprise a polymerizable moiety, in which case they may be left as-is or used to create homopolymers or non-homopolymers, or they may not comprise a polymerizable moiety. A wide variety of formulations may be created using the hemi-aminal ethers and thioethers of N-alkenyl cyclic compounds, including personal care, oilfield, and construction formulations.

  本文描述了可以通过反应制备的N-烯基环状化合物的半胺醚和硫醚，所述反应包括：（A）至少一个由结构（I）表示的第一反应物，其中X是一个官能化或非官能化的C1-C5烷基烯烃基团，可选地具有一个或多个杂原子，每个R1、R2和R3分别独立地选自氢和官能化和非官能化的烷基基团，可选地具有一个或多个杂原子；和（B）至少一个具有至少一个羟基基团或硫醇基团的第二反应物。N-烯基环状化合物的半胺醚和硫醚可能包括一个可聚合的基团，此时它们可以保持原样或用于制备同聚物或非同聚物，或者它们可能不包括可聚合的基团。可以使用N-烯基环状化合物的半胺醚和硫醚制备各种配方，包括个人护理、油田和建筑配方。
• [EN] N-(PYRID-4-YL)AMIDES AND N-(PYRIMIDIN-4-YL)AMIDES AND THEIR PHARMACEUTICAL AND COSMETIC USE<br/>[FR] N-(PYRID-4-YL)AMIDES ET N-(PYRIMIDIN-4-YL)AMIDES ET LEUR UTILISATION PHARMACEUTIQUE ET COSMÉTIQUE
  申请人：GALDERMA RES & DEV

  公开号：WO2013064681A1

  公开（公告）日：2013-05-10

  The present invention relates generally to the field of pharmaceuticals and cosmetics. More specifically, the present invention pertains to certain N-(pyrid-4-yl)amides and N-(pyrimidin-4-yl)amides of formula (1) which are potent modulators (e.g., inhibitors) of an androgen receptor, and which are useful, for example, in therapy, for example, in the treatment of a dermatological disease or disorder; a disease or disorder of the sebaceous gland(s); acne; hyperseborrhoea; oily skin; seborrhoeic dermatitis; hyperpilosity or hirsutism; atopic dermatitis; or androgenic alopecia; especially acne. The present invention also relates to compositions (e.g., pharmaceutical compositions, cosmetic compositions) comprising the compounds; methods of preparing the compositions; methods of modulating (e.g., inhibiting) an androgen receptor using the compounds and/or compositions; and medical and/or cosmetic use of the compounds and compositions.

  本发明一般涉及制药和化妆品领域。更具体地，本发明涉及某些式（1）的N-(吡啶-4-基)酰胺和N-(嘧啶-4-基)酰胺，这些化合物是雄激素受体的有效调节剂（例如，抑制剂），在治疗中很有用，例如，在治疗皮肤病或紊乱；皮脂腺的疾病或紊乱；痤疮；皮脂过多；油性皮肤；脂溢性皮炎；多毛症或多毛症；特应性皮炎；或雄激素性脱发；尤其是痤疮。本发明还涉及包含这些化合物的组合物（例如，制药组合物，化妆品组合物）；制备这些组合物的方法；使用这些化合物和/或组合物调节（例如，抑制）雄激素受体的方法；以及这些化合物和组合物的医学和/或化妆用途。
• COMPOSITIONS COMPRISING POLYMERS PREPARED FROM 2-HYDROXYALKYL ACIDS
  申请人：Moeller Michael

  公开号：US20130131190A1

  公开（公告）日：2013-05-23

  Described herein are compositions comprising polymers prepared by melt polycondensation of 2-hydroxyalkyl acids. Methods of making and using the compositions are also disclosed.

  本文描述了由2-羟基烷基酸熔融缩聚制备的聚合物组成物。还公开了制备和使用该组成物的方法。
• Substances and Pharmaceutical Compositions for the Inhibition of Glyoxalases and Their Use As Anti-Fungal Agents
  申请人：Huse Klaus

  公开号：US20080300303A1

  公开（公告）日：2008-12-04

  The present invention pertains to substances of the formula (I) wherein X is O or S; and R1-R4 are defined in the claims as inhibitors of glyoxalase I and/or II, pharmaceutical compositions comprising one or more compounds according to formula (I) and the use of one or more compounds according to formula (I) for the treatment of diseases associated with increased glycolytic metabolism. In one embodiment, the disease is a fungal infection.

  本发明涉及式（I）的物质，其中X是O或S; R1-R4在权利要求中定义为乙醛酸酯酶I和/或II的抑制剂，包含一个或多个式（I）化合物的制药组合物以及使用一个或多个式（I）化合物治疗与增加的糖酵解代谢相关的疾病。在一种实施方式中，该疾病是真菌感染。
• N-(PYRID-4-YL)AMIDES AND N-(PYRIMIDIN-4-YL)AMIDES AND THEIR PHARMACEUTICAL AND COSMETIC USE
  申请人：GALDERMA RESEARCH & DEVELOPMENT

  公开号：US20140234245A1

  公开（公告）日：2014-08-21

  N-(pyrid-4-yl)amides and N-(pyrimidin-4-yl)amides of formula (1) are described that are potent modulators (e.g., inhibitors) of an androgen receptor, and which are useful, for example, in the treatment of a dermatological disease or disorder; a disease or disorder of the sebaceous gland(s); acne; hyperseborrhoea; oily skin, seborrhoeic dermatitis; hyperpilosity or hirsutism; atopic dermatitis; or androgenic alopecia; especially acne. Also described, are compositions (e.g., pharmaceutical compositions, cosmetic compositions) comprising the compounds; methods of preparing the compositions; methods of modulating (e.g., inhibiting) and androgen receptors using the compounds and/or compositions; and medical and/or cosmetic use of the compounds and compositions.

  本文描述了公式（1）的N-（吡啶-4-基）酰胺和N-（嘧啶-4-基）酰胺，它们是雄激素受体的有效调节剂（例如抑制剂），并且在治疗皮肤病或紊乱，皮脂腺疾病或紊乱；痤疮；多油性皮肤，脂溢性皮炎；多毛或多发性毛发；特别是痤疮方面非常有用。还描述了包含这些化合物的组合物（例如制药组合物，化妆品组合物），制备这些组合物的方法，使用这些化合物和/或组合物调节（例如抑制）雄激素受体的方法，以及这些化合物和组合物的医疗和/或化妆品用途。