4-aminocyclohexylglycine

• 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: 4-aminocyclohexylglycine
• 英文别名: 2-[(4-aminocyclohexyl)amino]acetic acid
• 化学式: C₈H₁₆N₂O₂
• 分子量: 172.227
• InChiKey: SNQBKCVWLYISGN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.2
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  75.4
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  trans-1,2-diaminocyclohexane-N,N,N',N'-tetraacetic acid 在 sodium bismuthate 作用下， 以 水 为溶剂， 生成 聚合甲醛 、 二氧化碳 、 4-aminocyclohexylglycine
  参考文献：
  名称：

  El-Sayed, Abd El-Moneim Barakat; El-Badei, Mohamed El-Mostafa Abd; Ramadan, Ramadan Mohamed, Acta Chimica Hungarica, 1987, vol. 124, # 4, p. 557 - 566

  摘要：

  DOI：

文献信息

• Inhibitors of the blood-clotting factor xa, production thereof and use of the same
  申请人：Sturzebecher Jorg

  公开号：US20050119190A1

  公开（公告）日：2005-06-02

  The invention relates to novel inhibitors of clotting factor Xa, the preparation and use thereof for therapy, prophylaxis and diagnosis of cardiovascular disorders and thromboembolic events.

  本发明涉及一种新型凝血因子Xa抑制剂，其制备和用途用于治疗、预防和诊断心血管疾病和血栓栓塞事件。
• PHENYLALANINE DERIVATIVES
  申请人：Burke R. Terrence

  公开号：US20070219194A1

  公开（公告）日：2007-09-20

  The present invention provides phenylalanine derivatives that inhibit SH2 domain binding with a phosphoprotein. These derivatives include compounds of the formula: W—Y-(AA) n -Z wherein n is 0 to 15; Y is a phenylalanyl radical having a phenyl ring, an amine end, and a carboxyl end, the phenyl ring having one or more substituents, e.g., hydroxyl, carboxyl, formyl, carboxyalkyl, carboxyalkyloxy, dicarboxyalkyl, dicarboxyalkyloxy, dicarboxyhaloalkyl, dicarboxyhaloalkyloxy, and phosphonoalkyl, or phosphonohaloalkyl; W is a moiety attached to the nitrogen of Y and is, e.g., alkylcarbonyl, oxalyl, alkylaminooxalyl, arylaminooxalyl, arylalkylaminooxalyl, or alkoxyoxalyl; AA is an amino acid, the amine end of which is attached to the carboxyl end of Y; and Z is an arylalkylamino or arylheterocyclyl alkylamino; or a salt thereof; with the proviso that W is not arylalkylamino when the phenyl ring of phenylalanyl contains a phosphonoalkyl or phosphonohaloalkyl substituent at a position para to the alkylamido group and the ortho and meta positions are unsubstituted. The present invention further provides precursors suitable for preparing the phenylalanine derivatives and a method for the preparation of the precursors. The present invention further provides conjugates comprising a precursor and a conjugant that are covalently linked. These conjugates have biological and/or pharmacological properties.

  本发明提供苯丙氨酸衍生物，其抑制SH2域与磷酸化蛋白结合。这些衍生物包括以下公式的化合物：W—Y-(AA)n-Z，其中n为0至15；Y是具有苯环、胺端和羧基端的苯丙氨酰基基团，苯环具有一个或多个取代基，例如羟基、羧基、甲酰基、羧基烷基、羧基烷氧基、二羧基烷基、二羧基烷氧基、二羧基卤代烷基、二羧基卤代烷氧基、磷酸烷基或磷酸卤代烷基；W是连接到Y的氮上的基团，例如烷基羰基、草酰基、烷基氨基草酰基、芳基氨基草酰基、芳基烷基氨基草酰基或烷氧基草酰基；AA是一种氨基酸，其胺端连接到Y的羧基端；Z是芳基烷基氨基或芳基杂环基烷基氨基；或其盐；但是，当苯丙氨酰基的苯环在烷基酰基基团的对位上含有磷酸烷基或磷酸卤代烷基取代基，并且邻位和间位未取代时，W不是芳基烷基氨基。本发明还提供适用于制备苯丙氨酸衍生物的前体以及制备前体的方法。本发明还提供共价连接的前体和结合物的共轭物。这些共轭物具有生物和/或药理学性质。
• Fibrinogen receptor antagonists
  申请人：MERCK & CO. INC.

  公开号：EP0422937A1

  公开（公告）日：1991-04-17

  A fibrinogen receptor antagonist of the formula wherein XX represents a synthetic alpha-amino acid containing a phenyl or C₃-C₈ cycloalkyl group, and ZZ represents a sequence of 1, 2, 3 or 4 amino acids.

  式中的纤维蛋白原受体拮抗剂 其中 XX 代表含有苯基或 C₃-C₈ 环烷基的合成α-氨基酸，ZZ 代表 1、2、3 或 4 个氨基酸的序列。
• Thrombin inhibitors containing a peptidyl heterocycle
  申请人：Akzo Nobel N.V.

  公开号：EP0884325A1

  公开（公告）日：1998-12-16

  The invention relates to a thrombin inhibitor of the formula:         R1NH-CHR2-C(O)-A-B-X     (I) wherein R1 is -(1-6C)alkylene-COOH or -(1-6C)alkylene-CONH2; R2 is a side chain of a hydrophobic D-amino acid; A is an amino acid selected from proline, optionally containing a second heteroatom selected from N, O, or S, and optionally substituted with (1-6C)alkyl, (1-6C)alkoxy or halogen, 2-azetidine carboxylic acid, pipecolinic acid, octahydroindole-2-carboxylic acid or valine; B is lysine, 3- or 4-aminocyclohexylglycine or ω-(1-6C)alkyl-lysine; and X is a heterocycle selected from 2-thiazole, 2-thiazoline, 2-benzothiazole, 2-oxazole, 2-oxazoline, 2-benzoxazole, 2-imidazole and 2-benzimidazole, which heterocycles are optionally substituted with one or more substituents selected from (1-6C)alkyl, (1-6C)alkoxy, oxo, hydroxy, halogen, phenyl, -C(O)O-(1-6C)alkyl and amido; or a pharmaceutically acceptable salt thereof. The compounds of the invention have anticoagulant activity and can be used in treating or preventing thrombin-related diseases.

  本发明涉及一种式中的凝血酶抑制剂： R1NH-CHR2-C(O)-A-B-X (I) 其中 R1 是-(1-6C)亚烷基-COOH 或-(1-6C)亚烷基-CONH2； R2 是疏水性 D-氨基酸的侧链； A 是选自脯氨酸的氨基酸，可选含有选自 N、O 或 S 的第二个杂原子，并可选被 (1-6C)烷基、(1-6C)烷氧基或卤素取代，2-氮杂环丁烷羧酸、哌啶羧酸、八氢吲哚-2-羧酸或缬氨酸； B 是赖氨酸、3-或 4-氨基环己基甘氨酸或ω-(1-6C)烷基赖氨酸；以及 X 是选自 2-噻唑、2-噻唑啉、2-苯并噻唑、2-噁唑、2-噁唑啉、2-苯并噁唑、2-咪唑和 2-苯并咪唑的杂环，这些杂环任选被一个或多个选自 (1-6C)烷基、(1-6C)烷氧基、氧代、羟基、卤素、苯基、-C(O)O-(1-6C)烷基和氨基的取代基取代； 或其药学上可接受的盐。 本发明的化合物具有抗凝活性，可用于治疗或预防凝血酶相关疾病。
• Methods to identify and characterize prolyl oligopeptidases by using substrates and products thereof
  申请人：DIGILAB BioVisioN GmbH

  公开号：EP1741790A1

  公开（公告）日：2007-01-10

  Proteases such as those belonging to the prolyl oligopeptidase family (POP-family), e.g. DPP4 and DPP8, are involved in many pathological processes and diseases such as diabetes, obesity, hypotension and inflammatory diseases and therefore, these proteases are attractive drug targets. Especially inhibitors of DPP4 and/or DPP8 bear great potential as drug candidates and consequently screening assays and assays to identify and characterize the properties of these potential drugs are of very high interest as valuable tools for drug research. The invention provides such screening assays as well as a panel of peptides or proteins which are substrates or products of a protease of the POP-family and which consequently can be used in various tests to determine the activity of said protease, to screen for inhibitors of said protease and to analyze the specificity of different inhibitors of said protease in clinical studies.

  属于脯氨酰寡肽酶家族（POP-family）的蛋白酶，如 DPP4 和 DPP8，参与了许多病理过程和疾病，如糖尿病、肥胖症、低血压和炎症性疾病，因此，这些蛋白酶是有吸引力的药物靶点。特别是 DPP4 和/或 DPP8 的抑制剂具有作为候选药物的巨大潜力，因此，作为药物研究的宝贵工具，用于鉴定和表征这些潜在药物特性的筛选试验和检测方法具有极高的兴趣。本发明提供了这样的筛选检测方法以及多肽或蛋白质组，这些多肽或蛋白质是 POP 家族蛋白酶的底物或产物，因此可用于各种检测，以确定所述蛋白酶的活性，筛选所述蛋白酶的抑制剂，并在临床研究中分析所述蛋白酶不同抑制剂的特异性。