甲基1-氯-L-脯氨酸酯 | 119580-45-9

• 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: 甲基1-氯-L-脯氨酸酯
• 英文名称: (2S)-1-chloroproline methyl ether
• 英文别名: N-chloroproline methyl ester；methyl (2S)-1-chloropyrrolidine-2-carboxylate
• CAS: 119580-45-9
• 化学式: C₆H₁₀ClNO₂
• 分子量: 163.604
• InChiKey: ISEXBPSYFGMXFL-YFKPBYRVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  L-脯氨酸甲酯 在 次氯酸叔丁酯 作用下， 以 乙醚 为溶剂， 反应 0.5h， 以95%的产率得到甲基1-氯-L-脯氨酸酯
  参考文献：
  名称：

  Fluorodeoxygenation of proline, optically active 2-trifluoromethylpyrrolidine, and its chromophoric derivatives

  摘要：

  DOI：

  10.1007/bf00962755

文献信息

• [EN] WNT PATHWAY MODULATORS<br/>[FR] MODULATEURS DE LA VOIE WNT
  申请人：AGENCY SCIENCE TECH & RES

  公开号：WO2014175832A1

  公开（公告）日：2014-10-30

  The invention provides a compound of structure Ar1-Ar2-X-C(R1R2)-C(=O)-N(R3)-Ar3-Ar4 for modulating WNT activity. In this structure, Ar1, Ar2, Ar3 and Ar4 are, independently, optionally substituted aryl or heteroaryl groups; R1 and R3 are, independently, H or optionally substituted alkyl groups; R2 is H or an optionally substituted alkyl group or an alkylene group which, together with the carbon atom to which it is attached and X, forms a non-aromatic ring or an alkylene group which, together with the carbon atom to which it is attached and X and two adjacent atoms of Ar2, forms a non-aromatic ring; X is O, CR4R5, N or NR4, wherein if X is N, it is bonded to R2; R4 is H, optionally substituted alkyl or an alkylene chain, optionally containing a heteroatom and/or a carbonyl group, which, together with the C or N to which it is attached and two adjacent atoms of Ar2, forms a non-aromatic ring; R5 is H, NH2 or an optionally substituted alkyl group.

  该发明提供了一种结构为Ar1-Ar2-X-C(R1R2)-C(=O)-N(R3)-Ar3-Ar4的化合物，用于调节WNT活性。在这种结构中，Ar1、Ar2、Ar3和Ar4分别是可选择取代的芳基或杂环芳基；R1和R3分别是H或可选择取代的烷基；R2是H或可选择取代的烷基或与其连接的碳原子和X形成非芳香环的烷基，或者与其连接的碳原子、X和Ar2的两个相邻原子形成非芳香环的烷基；X是O、CR4R5、N或NR4，如果X是N，则与R2相结合；R4是H、可选择取代的烷基或含有杂原子和/或羰基的烷基链，与其连接的C或N以及Ar2的两个相邻原子形成非芳香环；R5是H、NH2或可选择取代的烷基。
• [EN] SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION<br/>[FR] INHIBITEURS PROLINE SUBSTITUÉE DE RÉPLICATION DU VIRUS DE L'HÉPATITE C
  申请人：INTERMUNE INC

  公开号：WO2012040242A1

  公开（公告）日：2012-03-29

  The embodiments provide compounds of the general Formulae I, la, II,IIa,III, IIIa, Illb, IV, IVa, IVb, V, Va, Vb, VI, VIa, VIb, and VIc, as well as compositions, including pharmaceutical compositions, comprising a subject compound. The embodiments further provide treatment methods, including methods of treating a hepatitis C virus infection and methods of treating liver fibrosis, the methods generally involving administering to an individual in need thereof an effective amount of a subject compound or composition. The embodiments also provide methods for the synthesis of subject compounds and intermediates in the synthetic methods.

  该实施例提供了一般式I、Ia、II、IIa、III、IIIa、IIIb、IV、IVa、IVb、V、Va、Vb、VI、VIa、VIb和VIc的化合物，以及包括药物化合物的组合物，包括制药组合物。该实施例还提供了治疗方法，包括治疗丙型肝炎病毒感染和治疗肝纤维化的方法，这些方法通常涉及向需要的个体施用所述化合物或组合物的有效量。该实施例还提供了用于合成所述化合物和合成方法中间体的方法。
• [EN] BIARYL INHIBITORS OF THE SODIUM CHANNEL<br/>[FR] INHIBITEURS BIARYLE DU CANAL SODIQUE
  申请人：ZALICUS PHARMACEUTICALS LTD

  公开号：WO2013131018A1

  公开（公告）日：2013-09-06

  The invention relates to compounds useful in treating conditions associated with voltage- gated ion channel function, particularly conditions associated with sodium channel activity. More specifically, the invention concerns biaryl derivatives (e.g., compounds according to any of Formulas (I)-(XII) or Compounds (l)-(372) of Table 1) that are that are useful in treatment of conditions such as epilepsy, cancer, pain, migraine, Parkinson's Disease, mood disorders, schizophrenia, psychosis, tinnitus, amyotropic lateral sclerosis, glaucoma, ischaemia, spasticity disorders, obsessive compulsive disorder, restless leg syndrome and Tourette syndrome.

  该发明涉及与电压门控离子通道功能相关的化合物，特别是与钠通道活性相关的病症。更具体地说，该发明涉及联萘衍生物（例如，根据表1的任一公式（I）-（XII）或化合物（l）-（372）的化合物），这些化合物可用于治疗癫痫、癌症、疼痛、偏头痛、帕金森病、情绪障碍、精神分裂症、精神病、耳鸣、肌萎缩性侧索硬化、青光眼、缺血、痉挛性障碍、强迫症、不安腿综合征和抽动症等病症的治疗。
• SYNTHESIS OF [2.2.2]-DIAZABICYCLIC RING SYSTEMS
  申请人：COLLEGE OF WILLIAM AND MARY

  公开号：US20130296564A1

  公开（公告）日：2013-11-07

  Herein we describe compositions and methods for the synthesis of [2.2.2]-diazabicyclic structures comprising a domino reaction sequence involving aldol condensation, alkene isomerization, and intramolecular hetero-Diels-Alder cycloaddition. Excellent diastereofacial control during the cycloaddition is enforced with a removable chiral phenyl aminal diketopiperazine substituent. The reaction sequence rapidly generates molecular complexity and is competent with both enolizable and non-enolizable aldehyde substrates. This method provides an efficient route to [2.2.2]-diazabicyclic structures, common to bioactive prenylated indole alkaloids such as the brevianamides and stephacidins.

  在这里，我们描述了一种合成[2.2.2]-二氮杂双环结构的组合物和方法，包括一个多米诺反应序列，涉及醛缩合、烯烃异构化和分子内杂Diels-Alder环加成。在环加成过程中，采用可移除的手性苯基胺基二酮肽取代基强制实现了优异的对映面控制。该反应序列快速生成分子复杂性，并适用于既可烯化又不可烯化的醛基底物。这种方法提供了一种有效的合成途径，用于制备[2.2.2]-二氮杂双环结构，这些结构常见于生物活性的类似于百里酰胺和司法酸的前尼双环吲哚生物碱。
• [EN] PROCESSES FOR PREPARING PROTEASE INHIBITORS OF HEPATITIS C VIRUS<br/>[FR] PROCÉDÉS DE PRÉPARATION D'INHIBITEURS DE PROTÉASE DU VIRUS DE L'HÉPATITE C
  申请人：MERCK SHARP & DOHME

  公开号：WO2011025849A1

  公开（公告）日：2011-03-03

  The present invention relates to synthetic processes useful in the preparation of macrocyclic compounds of Formula (I) that are useful as inhibitors of the hepatitis C virus NS3 protease and have application in the treatment of conditions caused by the hepatitis C virus. The present invention also encompasses intermediates useful in the disclosed synthetic processes and the methods of their preparation.

  本发明涉及合成过程，用于制备宏环化合物的公式（I），该化合物可用作丙型肝炎病毒NS3蛋白酶的抑制剂，并在治疗由丙型肝炎病毒引起的疾病方面具有应用。本发明还包括在所述合成过程中有用的中间体及其制备方法。