RS,SR-β-Phenylasparaginsaeure | 50817-08-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: RS,SR-β-Phenylasparaginsaeure
• 英文别名: β-Phenyl-asparaginsaeure；2-azaniumyl-4-hydroxy-4-oxo-3-phenylbutanoate
• CAS: 50817-08-8；59780-49-3；59780-50-6
• 化学式: C₁₀H₁₁NO₄
• 分子量: 209.202
• InChiKey: KDNVHOLSAKGLRN-UHFFFAOYSA-N

物化性质

• 沸点：
  330.5±42.0 °C(Predicted)
• 密度：
  1.401±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -2.2
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  101
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  RS,SR-β-Phenylasparaginsaeure 在 氢氧化钾 、 sodium carbonate 、 溶剂黄146 、 β-丙氨酸 作用下， 以 水 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and evaluation of aryl thioxothiazolidinone inhibitors of ADAMTS-5 (Aggrecanase-2)

  摘要：

  5-Benzylidene-2-thioxo-thiazolidin-4-one inhibitors of ADAMTS-5 (Aggrecanase-2) have been prepared via commercially available starting materials. The identified compounds show micromolar ADAMTS-5 potency and demonstrate SAR trends for both the aryl group and thioxothiazolidinone zinc chelator. This series of compounds represents steps toward a metalloprotease inhibitor as a disease-modifying osteoarthritis drug. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.12.027
• 作为产物：
  描述：

  α-溴苯乙酸乙酯 、 乙酰氨基丙二酸二乙酯 生成 RS,SR-β-Phenylasparaginsaeure
  参考文献：
  名称：

  新的天冬酰胺类似物。

  摘要：

  DOI：

  10.1021/jm00269a012

文献信息

• [EN] GLYCINE B ANTAGONISTS<br/>[FR] ANTAGONISTES DE LA GLYCINE B
  申请人：MERZ PHARMA GMBH & CO KGAA

  公开号：WO2010037533A1

  公开（公告）日：2010-04-08

  The invention relates to quinoline derivatives as well as their pharmaceutically acceptable salts. The invention further relates to a process for the preparation of such compounds. The compounds of the invention are glycine B antagonists and are therefore useful for the control and prevention of various disorders, including neurological disorders.

  该发明涉及喹啉衍生物及其药用盐。该发明还涉及一种制备这种化合物的方法。该发明的化合物是甘氨酸B拮抗剂，因此对于控制和预防各种疾病，包括神经系统疾病，非常有用。
• Configurational assignment of β-phenylaspartic acids in solution by1H and13C nuclear magnetic resonance
  作者：M. Barrelle、C. Gey、C. G. Béguin

  DOI：10.1002/mrc.1260260809

  日期：1988.8

  molecules allows configurational assignments to be made. In strong acidic medium we observed intermediate values for 3J(HH) for both isomers, for one isomer two intermediate values for 3J(Co‐α, H‐β) and 3J(Co‐β, H‐α), and for the other isomer a very small value for 3J(CO‐α, H‐β) and an intermediate value for 3J(Co‐β, H‐α). The discussion shows that the former has the RR/SS configuration and the latter

  β-苯基天冬氨酸的两种非对映异构体在不同 pH 值下的邻位 3J(HH) 和 3J(13CH) 偶联常数被报道。将这些偶联常数与从这些分子的可能构象预期的那些常数进行比较，可以进行构型分配。在强酸性介质中，我们观察到两种异构体的 3J(HH) 的中间值，一种异构体的 3J(Co-α, H-β) 和 3J(Co-β, H-α) 的两个中间值，以及另一种异构体的中间值异构体 3J(CO-α, H-β) 的一个非常小的值和 3J(Co-β, H-α) 的中间值。讨论表明，前者具有RR/SS配置，后者具有RS/SR配置。
• Substituted n-arylsulfonyl-proline derivatives as potent cell adhesion inhibitors
  申请人：——

  公开号：US20040102478A1

  公开（公告）日：2004-05-27

  Compounds of formula (I) are antagonists of VLA-4 and/or alpha4/beta7, and as such are useful in the inhibition or prevention of cell adhesion and cell-adhesion mediated pathologies. These compounds may be formulated into pharmaceutical compositions and are suitable for use in the treatment of AIDS-related dementia, allergic conjunctivitis, allergic rhinitis, Alzheimer's disease, asthma, atherosclerosis, autologous bone marrow transplantation, certain types of toxic and immune-based nephritis, contact dermal hypersensitivity, inflammatory bowel disease including ulcerative colitis and Crohn's disease, inflammatory lung diseases, inflammatory sequelae of viral infections, meningitis, multiple sclerosis, multiple myeloma, myocarditis, organ transplantation, psoriasis, pulmonary fibrosis, restenosis, rhinitis, rheumatoid arthritis, septic arthritis, stroke, tumor metastasis, uveititis, and type I diabetes.

  公式（I）的化合物是VLA-4和/或alpha4/beta7的拮抗剂，因此可用于抑制或预防细胞黏附和细胞黏附介导的病理过程。这些化合物可以制成药物组合物，并适用于治疗艾滋病相关痴呆症、过敏性结膜炎、过敏性鼻炎、阿尔茨海默病、哮喘、动脉粥样硬化、自体骨髓移植、某些类型的毒性和免疫性肾炎、接触性皮肤过敏、炎症性肠病，包括溃疡性结肠炎和克隆病、炎症性肺部疾病、病毒感染的炎症后遗症、脑膜炎、多发性硬化症、多发性骨髓瘤、心肌炎、器官移植、银屑病、肺纤维化、再狭窄、鼻炎、类风湿性关节炎、败血性关节炎、中风、肿瘤转移、葡萄膜炎和1型糖尿病的治疗。
• Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus
  申请人：Doronina Svetlana O.

  公开号：US20090018086A1

  公开（公告）日：2009-01-15

  Auristatin peptide analogs of MeVal-Val-Dil-Dap-Phe (MMAF) are provided having C-terminal phenylalanine residue side chain replacements or modifications which are provided alone or attached to ligands through various linkers. The related conjugates can target specific cell types to provide therapeutic benefit.

  提供了MeVal-Val-Dil-Dap-Phe（MMAF）的Auristatin肽类类似物，其中包括C-末端苯丙氨酸残基侧链替换或修饰，这些类似物可以单独提供或通过各种连接剂连接到配体上。相关的结合物可以针对特定细胞类型，提供治疗效果。
• GLYCINE B ANTAGONIST
  申请人：Henrich Markus

  公开号：US20110190342A1

  公开（公告）日：2011-08-04

  The invention relates to quinoline derivatives as well as their pharmaceutically acceptable salts. The invention further relates to a process for the preparation of such compounds. The compounds of the invention are glycine B antagonists and are therefore useful for the control and prevention of various disorders, including neurological disorders.

  本发明涉及喹啉衍生物及其药学上可接受的盐。本发明还涉及制备这种化合物的过程。本发明的化合物是甘氨酸B拮抗剂，因此对控制和预防各种疾病，包括神经系统疾病，非常有用。