4-Hexadecanoylaminobutane-1-ol | 107560-77-0

• 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: 4-Hexadecanoylaminobutane-1-ol
• 英文别名: N-(4-hydroxybutyl)hexadecanamide
• CAS: 107560-77-0
• 化学式: C₂₀H₄₁NO₂
• 分子量: 327.551
• InChiKey: SKKYZZSLMGETBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  23
• 可旋转键数：
  18
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  Methyl 4-(hexadecanoylamino)butanoate 在 sodium tetrahydroborate 作用下， 以 甲醇 、 叔丁醇 为溶剂， 生成 4-Hexadecanoylaminobutane-1-ol
  参考文献：
  名称：

  Dutta, Pradeep K.; Chaudhuri, Chandana; Mandal, Sukhendu B., Journal of Chemical Research, Miniprint, 1991, # 8, p. 2180 - 2188

  摘要：

  DOI：

文献信息

• Phospholipid analogs useful as paf synthesis inhibitors
  申请人：Merck & Co., Inc.

  公开号：EP0208961A2

  公开（公告）日：1987-01-21

  There are disclosed phospholipid analogs having the formula: wherein: Y represents, e.g., -O; R represents, e.g., -(CH2)15CH3; Z represents, e.g., X is, e.g., trimethylamine; R2 and R3 can be the same or different and are independently, e.g., (a) hydrogen; (b) hydroxy; (c) unsaturated or saturated, unsubstituted or substituted C1-C4 alkyl group wherein the substituents are hydroxy, acetyloxy, sulfhydryl, fluoro; (d) azido; (e) amido; (f) acetamido; m is, e.g., 1; and n is, e.g., 2. These compounds inhibit PAF (platelet-activating factor) biosynthesis and are thereby useful In the treatment of various diseases or disorders mediated by the PAF such as, for example, pain, fever, inflammation, cardiovascular disorder, asthma, lung edema, allergic disorders, skin diseases, psoriasis, and adult respiratory distress syndrome.

  已公开的磷脂类似物具有以下式子： 其中 Y 代表，例如，-O； R 代表，例如，-(CH2)15CH3； Z 代表，例如 X 代表三甲胺等； R2 和 R3 可以相同或不同，且各自独立，如 (a) 氢 (b) 羟基 (c) 不饱和或饱和、未取代或取代的 C1-C4 烷基，其中取代基为羟基、乙酰氧基、巯基、氟基； (d) 叠氮 (e) 氨基 (f) 乙酰氨基； m 是，例如 1；以及 n 是，例如 2。 这些化合物可抑制 PAF（血小板活化因子）的生物合成，因此可用于治疗由 PAF 介导的各种疾病或紊乱，例如疼痛、发热、炎症、心血管疾病、哮喘、肺水肿、过敏性疾病、皮肤病、牛皮癣和成人呼吸窘迫综合征。
• Organic compounds
  申请人：Givaudan SA

  公开号：US11091429B2

  公开（公告）日：2021-08-17

  A flavour composition comprising a compound according to the formula (1) or edible salts thereof, wherein R1 is an alkyl residue containing 6 to 20 carbon atoms, or an alkene residue containing from 9 to 25 carbon atoms with 1 to 6 double bonds, R1 together with the carbonyl group to which it is attached is a residue of a carboxylic acid, and NR2R3, in which R3 is H or together with R2 and the N-atom to which they are attached, a 5-membered ring, is a residue of an amino acid, in particular a proteinogenic amino acid, ornithine, gamma-aminobutyric acid or beta alanine, or a 1-amino cycloalkyl carboxylic acid.

  一种香料组合物，包含根据式（1）的化合物或其食用盐、 其中 R1 是含有 6 至 20 个碳原子的烷基残基，或含有 9 至 25 个碳原子并带有 1 至 6 个双键的烯基残基，R1 与所连接的羰基一起是羧酸残基，以及 NR2R3、是氨基酸残基，特别是蛋白氨基酸、鸟氨酸、γ-氨基丁酸或 β-丙氨酸，或 1-氨基环烷基羧酸。
• ORGANIC COMPOUNDS
  申请人：Givaudan SA

  公开号：US20200290951A1

  公开（公告）日：2020-09-17

  A flavour composition comprising a compound according to the formula (1) or edible salts thereof, wherein R 1 is an alkyl residue containing 6 to 20 carbon atoms, or an alkene residue containing from 9 to 25 carbon atoms with 1 to 6 double bonds, R 1 together with the carbonyl group to which it is attached is a residue of a carboxylic acid, and NR 2 R 3 , in which R 3 is H or together with R 2 and the N-atom to which they are attached, a 5-membered ring, is a residue of an amino acid, in particular a proteinogenic amino acid, ornithine, gamma-aminobutyric acid or beta alanine, or a 1-amino cycloalkyl carboxylic acid.
• US4761404A
  申请人：——

  公开号：US4761404A

  公开（公告）日：1988-08-02