(S)-S-哌啶-3-甲酸盐酸盐 | 851956-01-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: (S)-S-哌啶-3-甲酸盐酸盐
• 中文别名: (3S)-3-哌啶甲酸盐酸盐
• 英文名称: (S)-(+)-3-piperidinecarboxylic acid hydrochloride
• 英文别名: (S)-piperidine-3-carboxylic acid hydrochloride；(S)-nipecotic acid hydrochloride；(S)-NPA• HCl；(3S)-piperidine-3-carboxylic acid hydrochloride；(S)-(-)-nipecotic acid hydrochloric acid salt；(3S)-piperidine-3-carboxylic acid;hydrochloride
• CAS: 851956-01-9
• 化学式: C₆H₁₁NO₂*ClH
• mdl: MFCD00211281
• 分子量: 165.62
• InChiKey: LRZWUDOLANRDSF-JEDNCBNOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.44
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  49.3
• 氢给体数：
  3
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  (S)-S-哌啶-3-甲酸盐酸盐 在 二碳酸二叔丁酯 、 三乙胺 作用下， 以 甲醇 为溶剂， 以100%的产率得到N-Boc-(S)-3-甲酸哌啶
  参考文献：
  名称：

  Novel Non-Peptide Nociceptin/Orphanin FQ Receptor Agonist, 1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3R)-3-piperidinyl]-1H-benzimidazole: Design, Synthesis, and Structure−Activity Relationship of Oral Receptor Occupancy in the Brain for Orally Potent Antianxiety Drug

  摘要：

  An endogenous heptadecapeptide, nociceptin/orphanin FQ (N/OFQ), and a G-protein-coupled receptor, N/OFQ peptide (NOP) receptor [or opioid-receptor-like-1 (ORL1) receptor], have been described in terms of its structure, distribution, and pharmacology. Thus, the N/OFQ and NOP receptor are located in the central nervous systems in humans, primates, and rodents, and are involved in the integration of the emotional components in the brain; e.g., N/OFQ displays anxiolytic activity in the brain. For identifying orally potent anxiolytic, drug-design studies were performed with a series of 1,2-disubstituted benzimidazole derivatives, which resulted in the identification of various chemotypes of highly potent NOP selective full agonists in vitro with high or moderate NOP receptor occupancy in the mice brain per os such as 1-[1-(1-methylcyclooctyl)-4-piperidinyl]-2-[(3R)-3-piperidinyl]-1-H-benzimidazole 1 (MCOPPB), the most potent novel non-peptide NOP full agonist in vitro and an orally potent anxiolytic in the mice.

  DOI：

  10.1021/jm7012979
• 作为产物：
  描述：

  N-Boc-(S)-3-甲酸哌啶 在 盐酸 作用下， 以 溶剂黄146 为溶剂， 反应 4.0h， 以14.4 kg的产率得到(S)-S-哌啶-3-甲酸盐酸盐
  参考文献：
  名称：

  THIENO [2, 3-D] PYRIMIDINE DERIVATIVES AND THEIR USE TO TREAT ARRHYTHMIA

  摘要：

  本发明涉及硫代嘧啶化合物，这些化合物是钾通道抑制剂。还描述了包含这些化合物的药物组合物及其在治疗心律失常中的用途。

  公开号：

  US20140206703A1

文献信息

• [EN] SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS<br/>[FR] AGONISTES DES RÉCEPTEURS SPHINGOSINE-1-PHOSPHATE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2011017578A1

  公开（公告）日：2011-02-10

  Disclosed are compounds of Formula (I), or a stereoisomer or a pharmaceutically acceptable salt thereof, wherein: A is formula (II) Q is a substituted 5-membered monocyclic heteroaryl group; W is CH2, O, or NH; and R1, R2, R3, R4, R5, R6, m, n, t, and x are defined herein. Also disclosed are methods of using such compounds as selective agonists for G protein-coupled receptor S1P1, and pharmaceutical compositions comprising such compounds. These compounds are useful in treating, preventing, or slowing the progression of diseases or disorders in a variety of therapeutic areas, such as autoimmune diseases and vascular disease.

  揭示了Formula (I)的化合物，或其立体异构体或药用可接受的盐，其中：A为Formula (II)，Q为取代的5-成员单环杂芳基团；W为CH2、O或NH；而R1、R2、R3、R4、R5、R6、m、n、t和x在此处有定义。还揭示了将这些化合物用作G蛋白偶联受体S1P1的选择性激动剂的方法，以及包含这些化合物的药物组合物。这些化合物在治疗、预防或减缓多种治疗领域的疾病或紊乱方面具有用处，如自身免疫疾病和血管疾病。
• [EN] ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS<br/>[FR] MODULATEURS ALLOSTERIQUES DE RECEPTEURS GLUTAMATE METABOTROPIQUES
  申请人：ADDEX PHARMACEUTICALS SA

  公开号：WO2005044797A1

  公开（公告）日：2005-05-19

  The present invention relates to new compounds of formula (I) wherein A, B, P, Q, W, Rl and R2 are defined in the description; invention compounds are useful in the prevention or treatment of central nervous system disorders as well as other disorders modulated by mGluR5 receptors.

  本发明涉及公式（I）的新化合物，其中A、B、P、Q、W、R1和R2在描述中有定义；发明的化合物可用于预防或治疗中枢神经系统疾病以及其他受mGluR5受体调节的疾病。
• [EN] THIENO [2, 3 -D] PYRIMIDINE DERIVATIVES AND THEIR USE TO TREAT ARRHYTHMIA<br/>[FR] DÉRIVÉS DE THIÉNO[2,3-D]PYRIMIDINE ET LEUR UTILISATION POUR TRAITER L'ARYTHMIE
  申请人：XENTION LTD

  公开号：WO2012131379A1

  公开（公告）日：2012-10-04

  The present invention relates to thienopyrimidine compounds which are potassium channel inhibitors. Pharmaceutical compositions comprising the compounds and their use in the treatment of arrhythmia are also described.

  本发明涉及硫代嘧啶化合物，这些化合物是钾通道抑制剂。还描述了包括这些化合物的药物组合物及其在治疗心律失常中的应用。
• N-substituted piperidines and their use as pharrmaceuticals
  申请人：Yao Wenqing

  公开号：US20060004049A1

  公开（公告）日：2006-01-05

  The present invention relates to inhibitors of 11-β hydroxyl steroid dehydrogenase type 1, antagonists of the mineralocorticoid receptor (MR), and pharmaceutical compositions thereof. The compounds of the invention can be useful in the treatment of various diseases associated with expression or activity of 11-β hydroxyl steroid dehydrogenase type 1 and/or diseases associated with aldosterone excess.

  本发明涉及11-β羟基类固醇脱氢酶类型1的抑制剂、矿物皮质激素受体（MR）的拮抗剂以及其药物组合物。本发明的化合物可用于治疗与11-β羟基类固醇脱氢酶类型1的表达或活性有关的各种疾病，以及与醛固酮过量有关的疾病。
• [EN] PROCESS FOR PREPARING ENANTIOMERICALLY ENRICHED 3-HYDROXYMETHYLPIPERIDINE<br/>[FR] PROCÉDÉ DE PRÉPARATION DE 3-HYDROXYMÉTHYLPIPÉRIDINE ÉNANTIOMÉRIQUEMENT ENRICHIE
  申请人：REUTER CHEMISCHE APPBAU KG

  公开号：WO2014173855A1

  公开（公告）日：2014-10-30

  The present invention relates to a process for preparing enantiomerically enriched 3-hydroxymethylpiperidine and in particular of the S-enantiomer of (S)-3-hydroxymethyl- piperidine in high chemical and optical purity. The invention also relates to extremely pure (S)-3-hydroxymethylpiperidine and (R)-3-hydroxymethylpiperidine.

  本发明涉及一种制备对映富集的3-羟甲基哌啶的方法，特别是高化学和光学纯度的(S)-3-羟甲基哌啶的S对映体。该发明还涉及极纯的(S)-3-羟甲基哌啶和(R)-3-羟甲基哌啶。