2-氨基-3-五氟苯基-丙酸 | 3321-96-8

• 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
• 中文名称: 2-氨基-3-五氟苯基-丙酸
• 中文别名: 3-五氟苯基-DL-丙氨酸
• 英文名称: (R,S)-pentafluoropenylalanine
• 英文别名: rac.-(2,3,4,5,6-Pentafluorphenyl)-alanin；2-Amino-3-(2,3,4,5,6-pentafluorphenyl)propionsaeure；(+/-)-2-Amino-3--propionsaeure；Pentafluor-phenylalanin；2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid；β-Pentafluorphenylalanin；2-azaniumyl-3-(2,3,4,5,6-pentafluorophenyl)propanoate
• CAS: 3321-96-8
• 化学式: C₉H₆F₅NO₂
• 分子量: 255.144
• InChiKey: YYTDJPUFAVPHQA-UHFFFAOYSA-N

物化性质

• 熔点：
  254-258°C
• 沸点：
  286.3±40.0 °C(Predicted)
• 密度：
  1.609±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  63.3
• 氢给体数：
  2
• 氢受体数：
  8

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2922499990

反应信息

• 作为反应物：
  描述：

  2-氨基-3-五氟苯基-丙酸 在 盐酸 、 碳酸氢钠 作用下， 以 水 、 丙酮 为溶剂， 反应 10.0h， 生成 D-3-(五氟苯基)丙氨酸
  参考文献：
  名称：

  Soloshonok, V. A.; Shvyadas, V. K.; Kukhar, V. P., Russian Journal of Bioorganic Chemistry, 1993, vol. 19, # 4, p. 236 - 240

  摘要：

  DOI：
• 作为产物：
  描述：

  2,3,4,5,6-五氟甲苯 在 盐酸 、 溴 作用下， 以 四氯化碳 为溶剂， 生成 2-氨基-3-五氟苯基-丙酸
  参考文献：
  名称：

  New reactions of polyfluoroaromatic compounds. Pentafluorophenylalanine and tetrafluorotyrosine

  摘要：

  DOI：

  10.1021/jo01255a011

文献信息

• [EN] COMPOSITIONS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS<br/>[FR] COMPOSÉS ET MÉTHODES POUR LE TRAITEMENT D'INFECTIONS BACTÉRIENNES
  申请人：CIDARA THERAPEUTICS INC

  公开号：WO2018006063A1

  公开（公告）日：2018-01-04

  Compositions and methods for the treatment of bacterial infections include compounds containing dimers of cyclic heptapeptides conjugated to one or more monosaccharide or oligosaccharide moieties. In particular, compounds can be used in the treatment of bacterial infections caused by Gram-negative bacteria.

  用于治疗细菌感染的组合物和方法包括含有环七肽二聚体与一个或多个单糖或寡糖基团结合的化合物。特别是，这些化合物可用于治疗由革兰氏阴性细菌引起的细菌感染。
• [EN] PEPTIDE LIGANDS FOR BINDING TO MT1-MMP<br/>[FR] LIGANDS PEPTIDIQUES POUR LA LIAISON DE MT1-MMP
  申请人：BICYCLETX LTD

  公开号：WO2018115204A1

  公开（公告）日：2018-06-28

  A peptide ligand specific for MT1 -MMP comprising a polypeptide comprising two diaminopropionic acid (Dap) or N-alkyldiaminopropionic acid (N-AlkDap) residues, and a third residue selected from cysteine, Dap or N-AlkDap, separated by at least two loop sequences, and a molecular scaffold, the peptide being linked to the scaffold by covalent alkylamino linkages with the Dap or N-AlkDap residues of the polypeptide and by covalent thioether linkages with the cysteine when the third residue is cysteine, such that two polypeptide loops are formed on the molecular scaffold, wherein the peptide ligand comprises an amino acid sequence of formula (II): -A1-X1-U/O2-X3-X4-G5-A2-E6-D7-F8-Y9-X10-X11-A3- (SEQ ID NO: 1) (II) or a pharmaceutically acceptable salt thereof; wherein: A1, A2, and A3 are independently cysteine, L-2,3-diaminopropionic acid (Dap), N-beta-alkyl-L-2,3- diaminopropionic acid (N-AlkDap), or N-beta-haloalkyl-L-2,3-diaminopropionic acid (N- HAlkDap), provided that at least one of A1, A2, and A3 is Dap, N-AlkDap or N-HAlkDap; X represents any amino acid residue; U represents a polar, uncharged amino acid residue selected from N, C, Q, M, S and T; and O represents a non-polar aliphatic amino acid residue selected from G, A, I, L, P and V.

  一种特异性结合MT1-MMP的多肽配体，包含一个多肽，该多肽包含两个二氨丙酸（Dap）或N-烷基二氨丙酸（N-AlkDap）残基，以及第三个残基，选自半胱氨酸、Dap或N-AlkDap，通过至少两个环序列隔开，以及一个分子支架，该多肽通过共价烷基氨基连接与多肽的Dap或N-AlkDap残基相连，并且当第三个残基为半胱氨酸时，通过共价硫醚连接与半胱氨酸相连，使得在分子支架上形成两个多肽环，其中多肽配体包含公式（II）的氨基酸序列：-A1-X1-U/O2-X3-X4-G5-A2-E6-D7-F8-Y9-X10-X11-A3-（SEQ ID NO: 1）（II）或其药用可接受的盐；其中：A1、A2和A3独立地为半胱氨酸、L-2,3-二氨丙酸（Dap）、N-β-烷基-L-2,3-二氨丙酸（N-AlkDap）或N-β-卤代烷基-L-2,3-二氨丙酸（N-HAlkDap），前提是至少A1、A2和A3中的一个为Dap、N-AlkDap或N-HAlkDap；X代表任何氨基酸残基；U代表一个极性、不带电的氨基酸残基，选自N、C、Q、M、S和T；O代表一个非极性脂肪族氨基酸残基，选自G、A、I、L、P和V。
• GLUCOSAMINE DERIVATIVES AND PHARMACEUTICAL USES THEREOF
  申请人：RISEN (SUZHOU) PHARMA TECH CO., LTD.

  公开号：US20190185502A1

  公开（公告）日：2019-06-20

  There are provided compounds of Formula (A) and pharmaceutically acceptable salts and esters thereof, and pharmaceutical compositions thereof, used for the prevention or treatment in a mammal of joint and bone disorders such as arthritis and osteoporosis.

  提供了化合物A的公式及其药用盐和酯，以及用于哺乳动物关节和骨骼疾病（如关节炎和骨质疏松症）的预防或治疗的药物组合物。
• Solid phase method for synthesis peptide-spacer-lipid conjugates, conjugates synthesized thereby and targeted liposomes containing the same
  申请人：DEVELOPMENT CENTER FOR BIOTECHNOLOGY

  公开号：US20030229017A1

  公开（公告）日：2003-12-11

  A solid phase synthesis method for preparing peptide-spacer-lipid conjugates, the peptide-spacer-lipid conjugates synthesized by the method, and liposomes containing the peptide-spacer-lipid conjugates. The present invention provides a convenient solid phase synthesis method for preparing peptide-spacer-lipid conjugates and provides various linkage groups (such as amide group) for conjugating peptide, spacer and lipid, wherein the spacer may comprise PEG. Several advantages can be achieved, such as the synthetic procedure can be simplified, the synthesis process can be set to automation, the purification is easier in each reaction step, and the product losses can be reduced to minimal during synthesis. The present synthesis method is suitable for preparing a wide range of peptide-spacer-lipid conjugates, provides a peptide-spacer-lipid conjugate prepared by the solid phase synthesis method of the present invention, which can be incorporated into a liposome as the targeting moiety for liposomal drug delivery to specific cells, and provides a targeting liposome containing the present peptide-spacer-lipid conjugate.

  一种用于制备肽-间隔子-脂质共轭物的固相合成方法，所述方法合成的肽-间隔子-脂质共轭物，以及含有肽-间隔子-脂质共轭物的脂质体。本发明提供了一种便利的固相合成方法，用于制备肽-间隔子-脂质共轭物，并提供了各种连接基团（如酰胺基团）用于连接肽、间隔子和脂质，其中间隔子可以包括PEG。可以实现几项优点，例如合成过程可以简化，合成过程可以设定为自动化，每个反应步骤中的纯化更容易，并且在合成过程中产品损失可以降至最低。本合成方法适用于制备各种肽-间隔子-脂质共轭物，提供了一种由本发明的固相合成方法制备的肽-间隔子-脂质共轭物，可作为靶向单元被纳入脂质体，用于将脂质体药物传递到特定细胞，并提供了含有本肽-间隔子-脂质共轭物的靶向脂质体。
• [EN] NOVEL GLUTAMINE ANTAGONISTS AND USES THEREOF<br/>[FR] NOUVEAUX ANTAGONISTES DE LA GLUTAMINE ET LEURS UTILISATIONS
  申请人：UNIV JOHNS HOPKINS

  公开号：WO2019071110A1

  公开（公告）日：2019-04-11

  Glutamine antagonists and their use for treating oncological, immunological, and neurological diseases are disclosed. Also disclosed are methods for treating an oncological, immunological, infectious or neurological disease or disorder, the method comprising administering to a subject in need of treatment thereof a therapeutically effective amount of a glutamine antagonist of the disclosure or the pharmaceutical composition thereof. Also disclosed are methods of enhancing the effects of an immune checkpoint inhibitor, enabling a subject to respond to an immune checkpoint inhibitor, or enabling the toxicity or the dose or number of treatments with an immune checkpoint inhibitor to be reduced, comprising administering to a subject in need of treatment thereof a therapeutically effective amount of a glutamine antagonist of the disclosure or the pharmaceutical composition thereof, and an immune checkpoint inhibitor. Also disclosed are methods for treating an oncological, immunological, infectious or neurological disease or disorder that is refractory to checkpoint inhibitor therapy, the method comprising administering to a subject in need thereof, and having the refractory disease or disorder, a therapeutically effective amount of a glutamine antagonist of the disclosure or the pharmaceutical composition thereof.

  谷氨酰胺拮抗剂及其用于治疗肿瘤、免疫和神经系统疾病的方法已被披露。还披露了治疗肿瘤、免疫、传染性或神经系统疾病或紊乱的方法，该方法包括向需要治疗的受试者施用本公开的谷氨酰胺拮抗剂或其药物组成的治疗有效量。还披露了增强免疫检查点抑制剂效果的方法，使受试者对免疫检查点抑制剂产生反应，或减少免疫检查点抑制剂的毒性或剂量或治疗次数的方法，包括向需要治疗的受试者施用本公开的谷氨酰胺拮抗剂或其药物组成的治疗有效量，以及免疫检查点抑制剂。还披露了治疗对检查点抑制剂疗法无效的肿瘤、免疫、传染性或神经系统疾病或紊乱的方法，该方法包括向需要治疗的受试者施用本公开的谷氨酰胺拮抗剂或其药物组成的治疗有效量。