Methylpentanediol dineopentanoate | 762268-77-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Methylpentanediol dineopentanoate
• 英文别名: [5-(2,2-dimethylpropanoyloxy)-3-methylpentyl] 2,2-dimethylpropanoate
• CAS: 762268-77-9
• 化学式: C₁₆H₃₀O₄
• 分子量: 286.41
• InChiKey: ABKPAQVSXGDAOP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  20
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• NOVEL SUGAR DERIVATIVE GELATORS
  申请人：KYUSHU UNIVERSITY

  公开号：US20180208618A1

  公开（公告）日：2018-07-26

  A novel gelator including a sugar derivative; a gelator including a compound of Formula (1) or Formula (2): wherein R 1 is a linear or branched alkyl group having a carbon atom number of 9 to 20, a cyclic alkyl group having a carbon atom number of 13 to 20, or a linear or branched alkenyl group having a carbon atom number of 9 to 20, R 2 is a hydrogen atom, a linear or branched alkyl group having a carbon atom number of 1 to 10, or an aryl group optionally having a substituent, and R 3 and R 4 are hydroxy groups.

  一种包括糖衍生物的新型凝胶剂；一种包括化合物Formula（1）或Formula（2）的凝胶剂：其中，R1是具有碳原子数为9至20的直链或支链烷基基团，具有碳原子数为13至20的环烷基基团，或具有碳原子数为9至20的直链或支链烯基基团，R2是氢原子，具有碳原子数为1至10的直链或支链烷基基团，或具有取代基的芳基基团，而R3和R4是羟基。
• STICK-SHAPED BASE MATERIAL COMPRISING LIPID PEPTIDE COMPOUND
  申请人：NISSAN CHEMICAL INDUSTRIES, LTD.

  公开号：US20180200173A1

  公开（公告）日：2018-07-19

  A solid base material for external use on skin that has a breaking strength sufficiently high to be usable as a stick-shaped base material or the like. A solid base material for external use on skin containing a lipid peptide compound including at least one of compound of Formula (1), the similar compound thereof and the pharmacologically usable salts thereof; water; and a 1,3-alkanediol; wherein R 1 is a C 9-23 aliphatic group; R 2 is a hydrogen atom or a C 1-4 alkyl group optionally having a C 1 or C 2 branched chain; and R 3 is a —(CH 2 ) n —X group, wherein n is a number from 1 to 4, and X is amino group, guanidino group, -CONH 2 group, or a 5-membered ring group or 6-membered ring group optionally having one to three nitrogen atoms or a fused heterocyclic group composed of the 5-membered ring and the 6-membered ring.

  一种用于外用于皮肤的固体基材料，其断裂强度足够高，可用作棒状基材料或类似物。一种用于外用于皮肤的固体基材料，包含一个脂肽化合物，其中至少包括公式（1）的化合物、类似的化合物及其药学可用的盐；水；和1,3-烷二醇；其中R1是C9-23脂肪基；R2是氢原子或C1-4烷基，可选地具有C1或C2支链；R3是—（CH2）n—X基团，其中n是1至4之间的数字，而X是氨基、鸟氨酸基、-CONH2基团或具有1至3个氮原子或由5-成员环和6-成员环组成的融合杂环基团中的5-成员环基团或6-成员环基团。
• STICK-SHAPED BASE MATERIAL CONTAINING LIPID PEPTIDE COMPOUND
  申请人：NISSAN CHEMICAL INDUSTRIES, LTD.

  公开号：US20160324749A1

  公开（公告）日：2016-11-10

  A solid base material for skin external application has a breaking strength high enough to be used for a stick-shaped base material and the like. A solid base material for skin external application has: a surfactant; water; and a lipid peptide compound including at least one of compounds of Formula (1) and the analogous thereof or pharmaceutically usable salts of the compound: wherein R 1 is a C 9-23 aliphatic group; R 2 is a hydrogen atom, or a C 1-4 alkyl group that may have a C 1 or C 2 branched chain; R 3 is a —(CH 2 ) n —X group, where n is a number from 1 to 4, and X is amino group, guanidino group, —CONH 2 group, or a 5-membered or 6-membered ring that may have 1 to 3 nitrogen atoms or a condensed heterocycle composed of 5-membered and 6-membered rings that may have 1 to 3 nitrogen atoms.

  一种适用于皮肤外用的固态基材料具有足够高的断裂强度，可用于棒状基材料等。一种适用于皮肤外用的固态基材料包括：表面活性剂；水；以及包括以下化合物之一或其类似物或药用可用盐的脂肽化合物：其中R1是C9-23脂肪基；R2是氢原子或C1-4烷基，可以具有C1或C2支链；R3是—（CH2）n—X基团，其中n是1到4的数字，X是氨基团，鸟氨酸基团，—CONH2基团，或者是一个具有1到3个氮原子的5元或6元环，或者是由5元和6元环组成的具有1到3个氮原子的缩合杂环。
• STICK-SHAPED BASE MATERIAL HAVING HIGH WATER CONTENT
  申请人：NISSAN CHEMICAL CORPORATION

  公开号：US20200197284A1

  公开（公告）日：2020-06-25

  A stick-shaped base material capable of having a breaking strength required for a stick-shaped base material even when the amount of a lipid peptide compound contained therein is reduced, including: a surfactant; water; a lipid peptide compound including at least one of compound of the following Formula (1) and similar compound thereof or pharmaceutically usable salts of the compounds: wherein R 1 is a C 9-23 aliphatic group; R 2 is a hydrogen atom or a C 1-4 alkyl group optionally having a C 1 or C 2 branched chain; and R 3 is a —(CH 2 ) n —X group, wherein n is a number of 1 to 4, and X is an amino group, guanidine group, or a —CONH 2 group, or a 5-membered or 6-membered ring optionally having one to three nitrogen atoms or a fused heterocyclic ring composed of the rings; a 1,2-alkanediol or a 1,3-alkanediol; at least one fatty acid; and an alginic acid derivative.

  一种棒状基材料，即使其中含有脂肽化合物的量减少，仍能具有棒状基材料所需的断裂强度，包括：表面活性剂；水；脂肽化合物，其中包括以下式（1）的化合物和类似化合物或其药用盐之一：其中R1是C9-23脂肪基；R2是氢原子或C1-4烷基，可选地具有C1或C2支链；R3是—（CH2）n—X基团，其中n为1至4的数字，X是氨基、鸟氨酸基或—CONH2基团，或者是具有1至3个氮原子的5元或6元环，或者是由这些环组成的融合杂环；1,2-癸二醇或1,3-癸二醇；至少一种脂肪酸；和藻酸衍生物。
• DISPERSION AND METHOD FOR FORMING HYDROGEL
  申请人：NISSAN CHEMICAL INDUSTRIES, LTD.

  公开号：US20160129119A1

  公开（公告）日：2016-05-12

  An object is to provide dispersion containing lipid peptide type compound useful as low molecular weight gelator, such as lipid dipeptide and lipid tripeptide, and dissolution accelerator capable of dissolving the lipid peptide type compound at lower temperature and more easily. It is also an object to provide dispersion that can form hydrogel by simpler method and under milder condition (low temperature) and from which gel can be obtained as gel having high thermal stability, and provide method for forming the gel. Dispersion including: a lipid peptide type compound in which peptide portion formed by repetition of at least two or more identical or different amino acids is bonded to lipid portion including C 10-24 aliphatic group; dissolution accelerator having, in molecules thereof, hydrophilic portion and hydrophobic portion, the hydrophilic portion having betaine structure; and water; and method for producing hydrogel by use of the dispersion.

  本发明旨在提供一种包含脂肽类化合物的分散体，该化合物可用作低分子量凝胶剂，例如脂肽二肽和脂肽三肽，并且提供一种溶解加速剂，该加速剂能够在较低温度和更容易地溶解脂肽类化合物。本发明还旨在提供一种能够通过更简单的方法在较温和的条件下（低温）形成水凝胶的分散体，并从中可以得到具有高热稳定性的凝胶，并提供形成凝胶的方法。包括以下成分的分散体：脂肽类化合物，其中由至少两个或更多相同或不同的氨基酸重复形成的肽部分与包括C10-24脂肪族基团的脂肪部分相结合；溶解加速剂，其分子中具有亲水部分和疏水部分，亲水部分具有甜菜碱结构；和水；以及利用该分散体制备水凝胶的方法。