N-hexanoyl-β-alanine

• 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: N-hexanoyl-β-alanine
• 英文别名: 3-(Hexanoylamino)propanoic acid
• 化学式: C₉H₁₇NO₃
• mdl: MFCD11183437
• 分子量: 187.239
• InChiKey: JTZLRSLCEFXNLL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  13
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.777
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-hexanoyl-β-alanine 、 苯硼酸 在 二苯基膦基二茂铁 、 三甲基乙酸酐 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 16.0h， 以60%的产率得到N-(3-oxo-3-phenylpropyl)hexanamide
  参考文献：
  名称：

  新戊酸酐原位活化的硼酸和羧酸在钯催化下合成芳基酮

  摘要：

  提出了一种新的钯催化的芳基硼酸和混合酸酐之间的交叉偶联反应，该反应由羧酸和新戊酸酐原位生成。新催化剂和反应条件的优化导致在 60°C 下在湿 THF 中存在不同（磷烷）钯配合物的情况下，直接从羧酸和硼酸进行方便的一锅酮合成的发展。进行了系统研究以阐明这种转化的反应机制。33 种功能化酮的合成证明了新工艺的范围和局限性。(© Wiley-VCH Verlag GmbH, 69451 Weinheim, Germany, 2002)

  DOI：

  10.1002/1099-0690(200210)2002:19<3254::aid-ejoc3254>3.0.co;2-6

文献信息

• Rhizoxin derivates and their use as anti-tumor agents
  申请人：SANKYO COMPANY LIMITED

  公开号：EP0350315A1

  公开（公告）日：1990-01-10

  Rhizoxin and rhizoxin-2-ene derivatives of formula (I): [in which: n is 1 to 25; A is an extra bond or oxygen, X is oxygen, sulphur, nitrogen or carbonyl; and R is hydrogen, carboxylic acyl having from 1 to 25 carbon atoms, alkoxycarbonyl group having from 2 to 26 carbon atoms, phosphono, alkylphosphono group in which the alkyl part has from 1 to 25 carbon atoms, dialkyl­phosphono group in which each alkyl part has from 1 to 25 carbon atoms, alkyl group having from 1 to 25 carbon atoms, aralkyl, cycloalkyl, heterocyclic, alkylthio group in which the alkyl part has from 1 to 25 carbon atoms, aralkylthio, or heterocyclylthio, or when X represents a nitrogen atom, R is R¹ and R², where R¹ and R² are hydrogen, alkyl, acyl, alkoxycarbonyl, phosphono, alkylphosphono or dialkylphosphono] have valuable anti-tumour activity. They may be prepared by acylation of rhizoxin or rhizoxin-2-ene.

  式(I)的根肿灵和根肿灵-2-烯衍生物： 其中n 为 1 至 25；A 为额外键或氧，X 为氧、硫、氮或羰基；和 R 是氢、具有 1 至 25 个碳原子的羧酰基、具有 2 至 26 个碳原子的烷氧羰基、膦酰基、烷基膦酰基（其中烷基部分具有 1 至 25 个碳原子）、二烷基膦酰基（其中每个烷基部分具有 1 至 25 个碳原子）、具有 1 至 25 个碳原子的烷基、或当 X 代表氮原子时，R 为 R¹ 和 R²，其中 R¹ 和 R²为氢、烷基、酰基、烷氧羰基、膦酰基、烷基膦酰基或二烷基膦酰基]具有重要的抗肿瘤活性。它们可通过 rhizoxin 或 rhizoxin-2-ene 的酰化反应制备。
• COMBINED USE OF CARNOSINASE INHIBITOR WITH L-CARNOSINES AND COMPOSITION
  申请人：Innovative Vision Products, Inc.

  公开号：EP1586332A1

  公开（公告）日：2005-10-19

  The present invention provides combined use of a carnosinase inhibitor with L-carnosine and its related substance, and a composition containing the same, which are useful for treatment or prevention of various diseases, improvement of health conditions, improvement of exercise ability, improvement of skin health, prevention of the side effects of alcohol drinking and the like in mammals including human.

  本发明提供了肉毒碱酶抑制剂与左旋肉碱及其相关物质的联合使用方法，以及含有左旋肉碱及其相关物质的组合物，可用于治疗或预防包括人类在内的哺乳动物的各种疾病、改善健康状况、提高运动能力、改善皮肤健康、预防饮酒副作用等。
• Process for making wet-skin treatment compositions
  申请人：Unilever Home & Personal Care USA, Division of Conopco Inc.

  公开号：US20030072778A1

  公开（公告）日：2003-04-17

  The invention provides process for making wet skin treatment compositions for use during bathing. The compositions are activated by water and retained efficiently on skin. The compositions impart desirable benefits to skin, are perceived to absorb quickly on wet skin, and leave the skin feeling clean, but non-greasy.

  本发明提供了用于沐浴的湿皮肤护理组合物的制作工艺。该组合物由水激活并有效地保留在皮肤上。这种组合物能给皮肤带来理想的功效，在湿皮肤上吸收迅速，皮肤感觉清洁而不油腻。
• Method of enhanced moisture or reduced drying using wet-skin treatment compositions
  申请人：Unilever Home & Personal Care USA, Division of Conopco, Inc.

  公开号：US20030049282A1

  公开（公告）日：2003-03-13

  The invention provides methods of enhancing moisture or reducing drying using wet skin treatment composition. These compositions are activated by water and retained efficiently on skin. Thus, the compositions (and methods used) impart desirable benefits to skin, are perceived to absorb quickly on wet skin and leave the skin feeling clean, but non-greasy.

  本发明提供了使用湿皮肤处理组合物增强保湿或减少干燥的方法。这些组合物由水激活并有效地保留在皮肤上。因此，这些组合物（和使用方法）能给皮肤带来理想的功效，在湿皮肤上吸收迅速，皮肤感觉清洁而不油腻。
• Wet-skin treatment compositions
  申请人：Unilever Home & Personal Care USA, Division of Conopco, Inc.

  公开号：US20030054019A1

  公开（公告）日：2003-03-20

  The invention provides wet skin treatment compositions for use during bathing. The compositions are activated by water and retained efficiently on skin. The compositions impart desirable benefits to skin, are perceived to absorb quickly on wet skin, and leave the skin feeling clean, but non-greasy.

  本发明提供了在沐浴时使用的湿皮肤护理组合物。这种组合物由水激活并有效地保留在皮肤上。这种组合物能给皮肤带来理想的功效，在湿润的皮肤上吸收迅速，使皮肤感觉清洁而不油腻。