6-Amino-hexanoic acid allyl ester | 796848-59-4

• 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: 6-Amino-hexanoic acid allyl ester
• 英文别名: Prop-2-EN-1-YL 6-aminohexanoate；prop-2-enyl 6-aminohexanoate
• CAS: 796848-59-4
• 化学式: C₉H₁₇NO₂
• 分子量: 171.239
• InChiKey: NCEZJZWNVMQDOX-UHFFFAOYSA-N

物化性质

• 沸点：
  240.8±23.0 °C(Predicted)
• 密度：
  0.954±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  12
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-Amino-hexanoic acid allyl ester 在 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 1-羟基苯并三唑 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 prop-2-enyl 6-[[(2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]amino]hexanoate
  参考文献：
  名称：

  Large Cyclic Peptides as Cores of Multivalent Ligands:  Application to Inhibitors of Receptor Binding by Cholera Toxin

  摘要：

  Large cyclic decapeptides (up to 50-atom ring) were synthesized efficiently on the solid phase with allyl-ester protection of the carboxyl terminus during elongation. Pentavalent ligands, in a "core-linker-finger" modular setup, were assembled by using these cyclic peptide cores to demonstrate large affinity gains for inhibition of surface receptor binding by the cholera toxin B pentamer. The results suggest that the peptide cores retain expanded conformation in solution so that shorter flexible linkers are needed for larger peptide cores to achieve the best inhibitory results.

  DOI：

  10.1021/jo0489770
• 作为产物：
  描述：

  烯丙醇 、 6-氨基己酸 在 对甲苯磺酸 作用下， 以 苯 为溶剂， 生成 6-Amino-hexanoic acid allyl ester
  参考文献：
  名称：

  Large Cyclic Peptides as Cores of Multivalent Ligands:  Application to Inhibitors of Receptor Binding by Cholera Toxin

  摘要：

  Large cyclic decapeptides (up to 50-atom ring) were synthesized efficiently on the solid phase with allyl-ester protection of the carboxyl terminus during elongation. Pentavalent ligands, in a "core-linker-finger" modular setup, were assembled by using these cyclic peptide cores to demonstrate large affinity gains for inhibition of surface receptor binding by the cholera toxin B pentamer. The results suggest that the peptide cores retain expanded conformation in solution so that shorter flexible linkers are needed for larger peptide cores to achieve the best inhibitory results.

  DOI：

  10.1021/jo0489770

文献信息

• Stable helical peptoids via covalent side chain to side chain cyclization
  作者：Belén Vaz、Luc Brunsveld

  DOI：10.1039/b806847j

  日期：——

  interaction inhibitors. The generation of helical peptoid folds in organic and aqueous media has been limited to strict design rules, as peptoid-folding is mainly directed via the steric direction of alpha-chiral side-chains. Here a new methodology is presented to induce helical folds in peptoids with the aid of side chain to side chain cyclization. Cyclic peptoids were generated via solid-phase synthesis and

  类肽是低聚的N-取代的甘氨酸，具有作为生物学上相关的化合物的潜力。螺旋类肽为蛋白质-蛋白质相互作用抑制剂的产生提供了引人注目的折叠。由于类肽折叠主要通过α-手性侧链的空间方向进行，因此在有机介质和水性介质中螺旋类肽折叠的产生一直受到严格的设计规则的限制。在这里，提出了一种新的方法，可借助侧链至侧链环化作用在类肽中诱导螺旋折叠。通过固相合成产生环状类肽，并研究它们的折叠。环化在有机介质中的类肽中诱导明显的螺旋，帮助在水性介质中折叠，并且仅需要引入相对较少的手性芳族侧链。
• Compositions for prevention/prophylactic treatment of poison ivy dermatitis
  申请人：The University of Mississippi

  公开号：US10322103B2

  公开（公告）日：2019-06-18

  The present invention, in one or more embodiments, comprises derivatives of 3-n-pentadecylcatechol (poison ivy urushiol saturated congener) and/or 3-n-heptadecyl catechol (poison oak urushiol saturated congener) as compositions for the prevention and/or prophylactic treatment of contact dermatitis caused by poison ivy and poison oak. The present invention is also directed towards processes for making such compounds. Disclosed are compounds which are effective for tolerizing and desensitizing a subject against allergens contained in plants of the Anacardiaceae and Ginkgoaceae families comprising urushiol esters of general formula (IA) [Formula should be entered here] tolerizing and desensitizing mammals, including humans, to allergens contained in plants of the Anacardiaceae and Ginkgoaceae families is attained by administering a formulation containing at least one urushiol ester compound.

  本发明在一个或多个实施例中，包括3-n-十五烷基邻苯二酚（毒葛油酚饱和同系物）和/或3-n-十七烷基邻苯二酚（毒橡胶油酚饱和同系物）的衍生物，作为预防和/或预防性治疗因接触毒葛和毒橡胶引起的接触性皮炎的组合物。本发明还涉及制造这些化合物的过程。本发明揭示了有效的化合物，用于耐受和减轻主体对漆树科和银杏科植物中含有的过敏原的过敏反应，包括通式（IA）的漆酚酯化合物，通过给予含有至少一种漆酚酯化合物的配方，实现对哺乳动物，包括人类，耐受和减轻漆树科和银杏科植物中含有的过敏原的过敏反应。
• [EN] COMPOSITIONS FOR PREVENTION/PROPHYLACTIC TREATMENT OF POISON IVY DERMATITIS<br/>[FR] COMPOSITIONS POUR LA PRÉVENTION/LE TRAITEMENT PROPHYLACTIQUE DE LA DERMATITE PROVOQUÉE PAR LE SUMAC VÉNÉNEUX
  申请人：THE UNIV OF MISSISSIPPI

  公开号：WO2016160090A1

  公开（公告）日：2016-10-06

  The present invention, in one or more embodiments, comprises derivatives of 3-n-pentadecylcatechol (poison ivy urushiol saturated congener) and/or 3 -n-heptadecyl catechol (poison oak urushiol saturated congener) as compositions for the prevention and/or prophylactic treatment of contact dermatitis caused by poison ivy and poison oak. The present invention is also directed towards processes for making such compounds. Disclosed are compounds which are effective for tolerizing and desensitizing a subject against allergens contained in plants of the Anacardiaceae and Ginkgoaceae families comprising urushiol esters of general formula (IA) [Formula should be entered here] tolerizing and desensitizing mammals, including humans, to allergens contained in plants of the Anacardiaceae and Ginkgoaceae families is attained by administering a formulation containing at least one urushiol ester compound.

  本发明在一个或多个实施例中，包括3-正十五烷基儿茶酚（毒葛酚醛酸酯饱和同分异构体）和/或3-正十七烷基儿茶酚（毒橡胶酚醛酸酯饱和同分异构体）的衍生物，作为预防和/或预防性治疗由毒葛和毒橡胶引起的接触性皮炎的组合物。本发明还涉及制备这种化合物的过程。本发明揭示了能够对抗漆树科和银杏科植物中含有的过敏原，包括通式（IA）[应在此处输入公式]的漆醇酯化合物，能够对哺乳动物，包括人类，进行耐受和脱敏，达到的方法是给予含有至少一种漆醇酯化合物的配方。
• Process to continuously prepare an aqueous mixture of epsilon-caprolactam and epsilon-caprolactam precursors
  申请人：——

  公开号：US20020007058A1

  公开（公告）日：2002-01-17

  Process for preparing an aqueous mixture of &egr;-caprolactam and 6-aminocaproic acid and/or 6-aminocaproamide which involves, as the reductive amination step, contacting 5-formylvaleric acid and/or an alkyl 5-formylvalerate in water as solvent with hydrogen and an excess of ammonia in the presence of a ruthenium on carrier, as a catalyst, wherein the carrier is titanium oxide, zirconium oxide, graphite or carbon and the catalyst also contains at least one of the metals of group 8-11, or a compound of these metals. The aqueous mixture can be used to prepare &egr;-caprolactam.

  制备含有&egr;-己内酰胺和6-氨基己酸和/或6-氨基己酰胺的水溶液的过程涉及还原胺化步骤，其中将5-甲酰基戊酸和/或烷基5-甲酰基戊酸酯与氢气和氨的过量在水中作为溶剂接触，在铑载体的存在下作为催化剂，其中载体为钛氧化物、锆氧化物、石墨或碳，催化剂还包含8-11组金属之一或这些金属的化合物。该水溶液可用于制备&egr;-己内酰胺。
• Process for the continuous purification of crude epsilon--caprolactam
  申请人：DSM N.V.

  公开号：EP0943608A1

  公开（公告）日：1999-09-22

  The invention relates to a process for the continuous purification of crude ε-caprolactam, wherein crude ε-caprolactam prepared by cyclization of alkyl 6-aminocaproate, 6-aminocapronitrile, 6-amino caproic acid, 6-aminocaproic amide and/or oligomers thereof, is purified by a crystallization process.

  本发明涉及一种连续提纯粗制ε-己内酰胺的工艺，其中通过对 6-氨基己酸烷基酯、6-氨基己腈、6-氨基己酸、6-氨基己酸酰胺和/或其低聚物进行环化制备的粗制ε-己内酰胺通过结晶工艺进行提纯。