(R)-3-氨基-3-(3-吡啶基)丙酸 | 155050-17-2

• 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: (R)-3-氨基-3-(3-吡啶基)丙酸
• 中文别名: (R)-3-氨基-3-(吡啶-3-基)丙酸
• 英文名称: (R)-3-amino-3-(3-pyridyl)propanoic acid
• 英文别名: (3R)-3-azaniumyl-3-pyridin-3-ylpropanoate
• CAS: 155050-17-2
• 化学式: C₈H₁₀N₂O₂
• 分子量: 166.18
• InChiKey: QOTCEJINJFHMLO-SSDOTTSWSA-N

物化性质

• 沸点：
  352.6±32.0 °C(Predicted)
• 密度：
  1.268±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -3
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  76.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (R)-3-氨基-3-(3-吡啶基)丙酸 、 在 N,N-二异丙基乙胺 作用下， 以 乙醇 为溶剂， 反应 21.0h， 以93%的产率得到(R)-3-{5-[1-(5-Ethyl-furan-2-yl)-meth-(Z)-ylidene]-4-oxo-4,5-dihydro-thiazol-2-ylamino}-3-pyridin-3-yl-propionic acid
  参考文献：
  名称：

  Novel thiazolones as HCV NS5B polymerase allosteric inhibitors: Further designs, SAR, and X-ray complex structure

  摘要：

  Structure-activity relationships (SAR) of 1 against HCV NS5B polymerase were described. SAR explorations and further structure-based design led to the identifications of 2 and 3 as novel HCV NS5B inhibitors. X-ray structure of 3 in complex with NS5B polymerase was obtained at a resolution of 2.2A, and confirmed the design.

  DOI：

  10.1016/j.bmcl.2006.09.095
• 作为产物：
  描述：

  Ethyl-3-amino-3-(3'-pyridyl)-propionat 在 水 作用下， 以 异丙醚 为溶剂， 反应 7.0h， 生成 (R)-3-氨基-3-(3-吡啶基)丙酸 、 (R)-Ethyl β-amino-3-pyridinepropionate 、 (S)-3-amino-3-(3-pyridyl)propanoic acid
  参考文献：
  名称：

  Burkholderia cepacia lipase is an excellent enzyme for the enantioselective hydrolysis of β-heteroaryl-β-amino esters

  摘要：

  The enantioselective (E > 200) lipase PS-catalysed hydrolysis of beta-heteroaryl-beta-amino esters is described. The reactions were performed with H2O (0.5 equiv) in either diisopropyl ether or tert-butyl methyl ether at 25 degrees C. The resulting beta-heteroaryl-substituted beta-amino acid enantiomers were formed in high enantiomeric excess (ee >= 97%) and in good yield (>= 40%). (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2009.06.019

文献信息

• Integrin inhibitors and their methods of use
  申请人：——

  公开号：US20020019402A1

  公开（公告）日：2002-02-14

  The invention comprises novel compounds that are effective in the prophylaxis and treatment of diseases, such as integrin receptors mediated diseases, in particular, diseases or conditions mediated by integrin receptors, such as a &agr; v &bgr; 3 , &agr; v &bgr; 6 , &agr; 5 &bgr; 1 and the like. The invention encompasses novel compounds, pharmaceutically acceptable salts thereof, pharmaceutical compositions and methods for prophylaxis and treatment of such diseases and disorders. The subject invention also relates to processes for making such compounds as well as to intermediates useful in such processes.

  该发明涉及新型化合物，对预防和治疗疾病（如整合素受体介导的疾病，特别是由整合素受体介导的疾病或病况，如αvβ3、αvβ6、α5β1等）具有有效性。该发明涵盖了新型化合物、其药用可接受盐、药物组合物以及预防和治疗此类疾病和疾患的方法。该发明还涉及制备此类化合物的工艺以及在此类工艺中有用的中间体。
• [EN] 1-(AMINOPHENYL)-2-PYRROLIDONES AS INTEGRIN INHIBITORS<br/>[FR] 1-(AMINOPHENYL)-2-PYRROLIDONES COMME INHIBITEURS DES INTEGRINES
  申请人：AMGEN INC

  公开号：WO2001044230A1

  公开（公告）日：2001-06-21

  The invention comprises novel compounds that are effective in the prophylaxis and treatment of diseases, such as integrin receptors mediated diseases, in particular, diseases or conditions mediated by integrin receptors, such as αvβ3, αvβ5, αvβ6, α5β1 and the like. The invention encompasses novel compounds, pharmaceutically acceptable salts thereof, pharmaceutical compositions and methods for prophylaxis and treatment of such diseases and disorders. The subject invention also relates to processes for making such compounds as well as to intermediates useful in such processes.

  这项发明包括新的化合物，可用于预防和治疗疾病，例如整合素受体介导的疾病，特别是由整合素受体介导的疾病或病症，例如αvβ3、αvβ5、αvβ6、α5β1等。该发明涵盖了新的化合物、其药学上可接受的盐、制药组合物以及用于预防和治疗此类疾病和疾病的方法。该发明还涉及制备这种化合物的方法以及在这种过程中有用的中间体。
• 3-Amino-3-arylpropionic acid n-alkyl esters, process for production thereof, and process for production of optically active 3-amino-3-arylpropionic acids and esters of the antipodes thereto
  申请人：Yamamoto Yasuhito

  公开号：US20060178433A1

  公开（公告）日：2006-08-10

  The present invention is to provide an n-alkyl 3-amino-3-arylpropionate represented by the formula (I): wherein Ar 1 represents an aryl group which may have a substituent(s), provided that a phenyl group and 4-methoxyphenyl group are excluded, R 1 represents an n-propyl group or an n-butyl group, and a process for preparing the same, and its optically active compound and an optically active (S or R)-3-amino-3-arylpropionic acid represented by the formula (III-a): wherein Ar represents an aryl group which may have a substituent(s), and * represents an asymmetric carbon, and a process for preparing an optically active n-alkyl (R or S)-3-amino-3-arylpropionate represented by the formula (IV-a): wherein Ar and R 1 have the same meanings as defined above, * represents an asymmetric carbon, provided that it has a reverse absolute configuration to the compound of the formula (III-a).

  本发明提供了一种n-烷基3-氨基-3-芳基丙酸酯，其化学式表示为(I)：其中，Ar1表示一个芳基基团，可以具有一个或多个取代基，但不包括苯基和4-甲氧基苯基；R1表示一个n-丙基基团或n-丁基基团。本发明还提供了制备该化合物的方法，以及其光学活性化合物和光学活性(S或R)-3-氨基-3-芳基丙酸的化学式表示为(III-a)：其中，Ar表示一个芳基基团，可以具有一个或多个取代基，*表示一个不对称碳，以及制备光学活性n-烷基(R或S)-3-氨基-3-芳基丙酸酯的方法，其化学式表示为(IV-a)：其中，Ar和R1的含义与上述定义相同，*表示一个不对称碳，但其绝对构型与化合物的化学式(III-a)相反。
• 3-AMINO-3-ARYLPROPIONIC ACID n-ALKYL ESTERS, PROCESS FOR PRODUCTION THEREOF, AND PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 3-AMINO-3-ARYLPROPIONIC ACIDS AND ESTERS OF THE ANTIPODES THERETO
  申请人：Ube Industries, Ltd.

  公开号：EP1621529A1

  公开（公告）日：2006-02-01

  The present invention is to provide an n-alkyl 3-amino-3-arylpropionate represented by the formula (I): wherein Ar1 represents an aryl group which may have a substituent(s), provided that a phenyl group and 4-methoxyphenyl group are excluded, R1 represents an n-propyl group or an n-butyl group, and a process for preparing the same, and its optically active compound and an optically active (S or R)-3-amino-3-arylpropionic acid represented by the formula (III-a): wherein Ar represents an aryl group which may have a substituent(s), and * represents an asymmetric carbon, and a process for preparing an optically active n-alkyl (R or S)-3-amino-3-arylpropionate represented by the formula (IV-a): wherein Ar and R1 have the same meanings as defined above, * represents an asymmetric carbon, provided that it has a reverse absolute configuration to the compound of the formula (III-a).

  本发明旨在提供一种由式（I）代表的 3-氨基-3-芳基丙酸正烷基酯： 其中 Ar1 代表芳基，该芳基可以具有取代基，但不包括苯基和 4-甲氧基苯基，R1 代表正丙基或正丁基、 及其光学活性化合物和由式（III-a）表示的光学活性（S 或 R）-3-氨基-3-芳基丙酸的制备方法： 其中 Ar 代表芳基，该芳基可能具有取代基，* 代表不对称碳、 以及一种制备由式（IV-a）代表的光学活性正烷基（R 或 S）-3-氨基-3-芳基丙酸酯的工艺： 其中 Ar 和 R1 的含义与上述定义相同，* 代表不对称碳，条件是其绝对构型与式 (III-a) 化合物相反。
• Enzymatic encoding methods for efficient synthesis of large libraries
  申请人：Nuevolution A/S

  公开号：EP2341140A1

  公开（公告）日：2011-07-06

  Disclosed is a method for obtaining a bifunctional complex comprising a molecule linked to a single stranded identifier oligonucleotide, wherein a nascent bifunctional complex comprising a chemical reaction site and a priming site for enzymatic addition of a tag is a) reacted at the chemical reaction site with one or more reactants, and b) reacted enzymatically at the priming site with one or more tag(s) identifying the reactant(s).

  本发明公开了一种获得双功能复合物的方法，该复合物由与单链标识寡核苷酸相连的分子组成，其中包含化学反应位点和用于酶加标记的引物位点的新生双功能复合物 a) 在化学反应位点与一种或多种反应物反应，b) 在引物位点与一种或多种标识反应物的标记进行酶反应。