L-苯丙氨酸-β-萘酰胺 | 740-57-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: L-苯丙氨酸-β-萘酰胺
• 中文别名: N-2-萘基苯基丙氨酸酰胺
• 英文名称: phenylalanine-arginine β-naphthylamide
• 英文别名: L-phenylalanine β-naphthylamide；phenylalanine beta-naphthylamide；Phe-βNA；Phe β-naphthylamide；PAβN；L-Phenylalanin-<2>naphthylamid；(S)-2-Amino-N-(2-naphthyl)-3-phenylpropionamide；(2S)-2-amino-N-naphthalen-2-yl-3-phenylpropanamide
• CAS: 740-57-8
• 化学式: C₁₉H₁₈N₂O
• mdl: MFCD00046457
• 分子量: 290.365
• InChiKey: QUOLUWPVABJBKU-SFHVURJKSA-N

物化性质

• 熔点：
  129-131 °C(lit.)
• 沸点：
  550.4±43.0 °C(Predicted)
• 密度：
  1.220±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.105
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xn
• 危险类别码：
  R20/21/22
• 安全说明：
  S22,S36

反应信息

• 作为反应物：
  描述：

  L-苯丙氨酸-β-萘酰胺 在 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 二氯甲烷 、 乙酸乙酯 为溶剂， 生成 L-ornithine-L-phenylalanine-β-naphthylamine bis-trifluoroacetate
  参考文献：
  名称：

  Addressing the stability of C-capped dipeptide efflux pump inhibitors that potentiate the activity of levofloxacin in Pseudomonas aeruginosa

  摘要：

  Synthetic optimization of a biologically labile class of dipeptides that function as efflux pump inhibitors to potentiate the antibacterial agent levofloxacin in Pseudomonas aeruginosa has led to the discovery of a related series of compounds that are completely stable in a variety of biological matrices. Other than the stability profile, the in vitro profile of the new series is essentially identical to that observed with the original one. A prototypical compound from the new series demonstrates potentiation in an in vivo model of infection. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00033-6
• 作为产物：
  描述：

  N-甲酰-L-苯丙氨酸 在 乙酰氯 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 L-苯丙氨酸-β-萘酰胺
  参考文献：
  名称：

  Lefrancier; Bricas, Bulletin de la Societe Chimique de France, 1965, vol. 12, p. 3668 - 3675

  摘要：

  DOI：

文献信息

• Scavenger assisted combinatorial process for preparing libraries of amides, carbamates and sulfonamides
  申请人：ELI LILLY AND COMPANY

  公开号：EP0825164A2

  公开（公告）日：1998-02-25

  This invention relates to a novel solution phase process for the preparation of amide, carbamate, and sulfonamide combinatorial libraries. These libraries have utility for drug discovery and are used to form wellplate components of novel assay kits.

  这项发明涉及一种用于制备酰胺、碳酸酯和磺酰胺组合库的新型溶液相过程。这些库在药物发现中具有实用价值，并用于形成新型检测套件的微孔板组件。
• NITROGENOUS COMPOUNDS AND ANTIVIRAL DRUGS CONTAINING THE SAME
  申请人：Kureha Chemical Industry Co., Ltd.

  公开号：EP1273571A1

  公开（公告）日：2003-01-08

  The present invention provides novel compounds having antiviral activities and antiviral drugs containing the compounds as the active ingredient. The compounds are shown by the following general formula (1), wherein typically A1 and A2 are each guanidine or a group of the general fomula (ia) ; A3 is a mono- or poly-cyclic heteroaromatic ring contining 1 or 2 heteroatoms ; B1 is a single bond or alkylene group; R1 is hydrogen or alkyl group; W is an alkylene having 2-3 carbons, a cycloalkylene having 5-10 carbons, aromatic ring having 6-10 carbons, or a heteroaromatic ring having 5-10 carbons; y is C(=O)-; x is -C(=O)-NH-; n1 is an integer of 1-2; n2 is an integer of 2-3; D is a substituent selected from among various groups.

  本发明提供了具有抗病毒活性的新化合物以及含有这些化合物作为活性成分的抗病毒药物。这些化合物由以下一般式（1）所示，其中通常A1和A2分别是胍或一般式（ia）的基团；A3是含有1个或2个杂原子的单环或多环杂芳环；B1是单键或烷基基团；R1是氢或烷基基团；W是具有2-3个碳的烷基、具有5-10个碳的环烷基、具有6-10个碳的芳香环或具有5-10个碳的杂芳环；y是C(=O)-；x是-C(=O)-NH-；n1是1-2的整数；n2是2-3的整数；D是从各种基团中选择的取代基。
• CXCR4-ANTAGONISTIC DRUGS COMPRISING NITROGEN-CONTAINING COMPOUND
  申请人：Kureha Chemical Industry Co., Ltd.

  公开号：EP1389460A1

  公开（公告）日：2004-02-18

  To provide novel nitrogen-containing compounds having antagonism to CXCR4 and remedies for disease, such as rheumatism, cancer metastasis, etc., based on the CXCR4 antagonism. Nitrogen-containing compounds represented by the following general formula and CXCR4 antagonists containing these compounds as an active ingredient can be provided. The above compounds are typified by nitrogen-containing compounds represented by the following general formula (I) wherein A1 and A2 represent each a guanidino group or a group represented by the following general formula (ia) (wherein A3 represents a monocyclic or polycyclic heterocyclic aromatic ring group having 1 or 2 hetero atoms; B1 represents a single bond or alkylene group; and R1 represents hydrogen or alkyl group; W represents alkylene group having 2 to 3 carbon atoms, cyclic alkylene group having 5 to 10 carbon atoms, aromatic ring having 6 to 10 carbon atoms or heterocyclic aromatic ring having 5 to 10 carbon atoms; y is - (C=O) -; x is -C (=O) -NH-; n1 is an integer of 1 or 2; n2 is an integer of 2 or 3; and D is selected from among various substituents:

  为基于CXCR4拮抗作用提供对CXCR4具有拮抗作用的新型含氮化合物和治疗风湿病、癌症转移等疾病的药物。以下是一般式代表的含氮化合物和以这些化合物为活性成分的CXCR4拮抗剂。上述化合物以以下一般式（I）代表的含氮化合物为代表，其中A1和A2分别代表鸟氨基基团或由以下一般式（ia）代表的基团（其中A3代表具有1个或2个杂原子的单环或多环杂环芳香环基团；B1代表单键或烷基基团；R1代表氢或烷基基团；W代表具有2至3个碳原子的烷基基团、具有5至10个碳原子的环烷基团、具有6至10个碳原子的芳香环或具有5至10个碳原子的杂环芳香环；y为-(C=O)-；x为-C(=O)-NH-；n1为1或2的整数；n2为2或3的整数；D从各种取代基中选择）。
• [EN] NON-SYMMETRICAL GELLING AGENT<br/>[FR] AGENT DE GELIFICATION NON SYMETRIQUE
  申请人：APPLIED NANO SYSTEMS B V

  公开号：WO2005047231A1

  公开（公告）日：2005-05-26

  The present invention relates to a novel trisubstituted cyclic thickener or gelator. The present invention further relates to a method for thickening or gelating a solution comprising the use of such a gelator or thickener. A gelator or thickener according to the invention may for instance be used for pharmaceutical or cosmetic purposes. It may further be used as a support material in chromatographic materials or catalytically active materials.

  本发明涉及一种新型的三取代环状增稠剂或凝胶剂。本发明还涉及一种利用该凝胶剂或增稠剂增稠或凝胶化溶液的方法。根据本发明的凝胶剂或增稠剂可能用于制药或化妆品目的。它还可以用作色谱材料或催化活性材料的支撑材料。
• Scavenger assisted combinatorial process for preparing libaries of secondary amine compounds
  申请人：ELI LILLY AND COMPANY

  公开号：EP0818431A1

  公开（公告）日：1998-01-14

  This invention relates to a novel solution phase process for the preparation of secondary amine combinatorial libraries. These libraries have use for drug discovery and are used to form wellplate components of novel assay kits.

  这项发明涉及一种新颖的溶液相过程，用于制备次胺组合化合物库。这些库对药物发现具有用途，并用于形成新型测定试剂盒的孔板组分。

表征谱图