3-(2-氨基乙基)吡啶盐酸盐 | 84359-16-0

• 物质功能分类: 医药中间体 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 3-(2-氨基乙基)吡啶盐酸盐
• 英文名称: 3-(2-aminoethyl) pyridine hydrochloride
• 英文别名: 2-(Pyridin-3-yl)ethanamine hydrochloride；2-pyridin-3-ylethanamine;hydrochloride
• CAS: 84359-16-0
• 化学式: C₇H₁₀N₂*ClH
• 分子量: 158.631
• InChiKey: HQVIIDSDPBHPBD-UHFFFAOYSA-N

物化性质

• 熔点：
  204-205 °C(Solv: ethanol (64-17-5))

计算性质

• 辛醇/水分配系数(LogP)：
  -3.13
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  40.5
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P261,P301+P312,P302+P352,P304+P340,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  存储条件：2-8℃，请使用惰性气体保护。

反应信息

• 作为反应物：
  描述：

  1-(1-(4-chlorobenzyl)-1H-indole-2-carbonyl)piperidine-4-carboxylic acid 、 3-(2-氨基乙基)吡啶盐酸盐 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.17h， 以20%的产率得到1-(1-(4-chlorobenzyl)-1H-indole-2-carbonyl)-N-(2-(pyridin-3-yl)ethyl)piperidine-4-carboxamide
  参考文献：
  名称：

  Optimization of Novel Indole-2-carboxamide Inhibitors of Neurotropic Alphavirus Replication

  摘要：

  Neurotropic alphaviruses, which include western equine encephalitis virus (WEEV) and Fort Morgan virus, are mosquito-borne pathogens that infect the central nervous system causing acute and potentially fatal encephalitis. We previously reported a novel series of indole-2-carboxamides as alphavirus replication inhibitors, one of which conferred protection against neuroadapted Sindbis virus infection in mice. We describe here further development of this series, resulting in 10-fold improvement in potency in a WEEV repliton assay and up to 40-fold increases in half-lives in mouse liver microsomes. Using a rhodamine123 uptake assay in MDR1-MDCKII cells, we were able to identify structural modifications that markedly reduce recognition by P-glycoprotein, the key efflux transporter at the blood brain barrier. In a preliminary mouse PK study, we were able to demonstrate that two new analogues could achieve higher and/or longer plasma drug exposures than our previous lead and that one compound achieved measurable drug levels in the brain.

  DOI：

  10.1021/jm401330r
• 作为产物：
  描述：

  3-吡啶乙腈 在 盐酸 、 ammonium hydroxide 、 氢气 作用下， 以 甲醇 、 异丙醇 为溶剂， 120.0 ℃ 、5.0 MPa 条件下， 反应 15.0h， 生成 3-(2-氨基乙基)吡啶盐酸盐
  参考文献：
  名称：

  通过热解维生素B 12合成钴纳米颗粒：一种有效地腈加氢的非贵金属催化剂†

  摘要：

  据报道，负载在二氧化铈上的维生素B 12衍生的碳钴颗粒的制备简便。通过用天然氰钴胺湿浸渍二氧化铈并在惰性条件下连续热解获得所得的复合材料。该新型催化剂在工业上相关的腈非均相加氢成相应的伯胺中表现出良好或优异的性能。

  DOI：

  10.1039/c7cy01577a

文献信息

• [EN] AZAINDOLE DERIVATIVES WHICH ACT AS PI3K INHIBITORS<br/>[FR] DÉRIVÉS D'AZAINDOLE AGISSANT COMME INHIBITEUR DE PI3K
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2014011568A1

  公开（公告）日：2014-01-16

  Disclosed are compounds of Formula 1, and pharmaceutically acceptable salts thereof, wherein R1, R2, R3, R4, R5, R6, R7, R8, R9, and R10 are defined in the specification. This disclosure also relates to materials and methods for preparing compounds of Formula 1, to pharmaceutical compositions which contain them, and to their use for treating immunological disorders, cardiovascular disease, cancer, and other diseases, disorders or conditions associated with PI3Kδ.

  揭示了Formula 1的化合物及其药用盐，其中R1、R2、R3、R4、R5、R6、R7、R8、R9和R10在规范中有定义。本公开还涉及制备Formula 1化合物的材料和方法，含有它们的药物组合物，以及它们用于治疗免疫性疾病、心血管疾病、癌症和与PI3Kδ相关的其他疾病、疾患或症状的用途。
• [EN] SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP)<br/>[FR] PYRIDONES SUBSTITUES INHIBITEURS DE LA POLY(ADP-RIBOSE) POLYMERASE (PARP)
  申请人：AVENTIS PHARMA INC

  公开号：WO2005097750A1

  公开（公告）日：2005-10-20

  The present invention discloses and claims a series of 2,3,5-substituted pyridone derivatives as defined herein. This invention also relates to methods of making these compounds. The compounds of this invention are inhibitors of poly(adenosine 5'-diphosphate ribose) polymerase (PARP) and are therefore useful as pharmaceutical agents, especially in the treatment and/or prevention of a variety of diseases, including diseases associated with the central nervous system and cardiovascular disorders.

  本发明公开并声明了一系列如下定义的2,3,5-取代吡啶酮衍生物。本发明还涉及制备这些化合物的方法。本发明的化合物是多聚腺苷酸二磷酸核糖酶（PARP）的抑制剂，因此在制药剂中特别用于治疗和/或预防各种疾病，包括与中枢神经系统和心血管疾病相关的疾病。
• [EN] NOVEL E,E-DIENE COMPOUNDS AND THEIR USE AS MEDICAMENTS AND COSMETICS<br/>[FR] NOUVEAUX COMPOSÉS E,E-DIÉNIQUES ET LEUR UTILISATION COMME MÉDICAMENTS ET PRODUITS COSMÉTIQUES
  申请人：WOLFF AUGUST GMBH & CO KG ARZNEIMITTEL DR

  公开号：WO2012069605A1

  公开（公告）日：2012-05-31

  The present invention relates to a novel class of E,E-diene compounds and their use as a medicament, preferably as a dermatologic agent, and as a cosmetic. These novel compounds are particularly useful in treating and/or preventing inflammation, irritation, itching, pruritus, pain, oedema and/or pro-allergic or allergic conditions in a patient. Usually they are topically applied to the skin or mucosa in the form of a pharmaceutical or cosmetic composition comprising the compound and a pharmaceutically and/or cosmetically acceptable carrier.

  本发明涉及一种新型的E,E-二烯化合物及其作为药物的用途，优选作为皮肤科药剂和化妆品。这些新型化合物在治疗和/或预防病人的炎症、刺激、瘙痒、瘙痒、疼痛、水肿和/或过敏或过敏性疾病方面特别有用。通常它们以药用或化妆品组合物的形式局部应用于皮肤或粘膜，该组合物包括该化合物和药学和/或化妆学上可接受的载体。
• Factor Xa inhibitors
  申请人：Aventis Pharmaceuticals Inc.

  公开号：US06759384B1

  公开（公告）日：2004-07-06

  The invention provides compounds which specifically inhibit factor Xa activity having the structure A1—A2—(A3)m—B, where m is 0 or 1. A compound of the invention is characterized, in part, in that it exhibits a specific inhibition of factor Xa activity with a Ki≦100 &mgr;M, preferably ≦2 nM, and does not substantially inhibit the activity of other proteases involved in the coagulation cascade. The invention further provides methods of specifically inhibiting the activity of factor Xa and of inhibiting blood clotting in vitro and in an individual and methods of detecting factor Xa levels or activity.

  该发明提供了一种特异性抑制因子Xa活性的化合物，其结构为A1—A2—(A3)m—B，其中m为0或1。该发明的化合物的特征之一在于，它表现出对因子Xa活性的特异性抑制，Ki≤100μM，最好≤2 nM，并且不会显著抑制凝血级联中涉及的其他蛋白酶的活性。该发明还提供了特异性抑制因子Xa活性、在体外和个体内抑制血液凝固以及检测因子Xa水平或活性的方法。
• SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP)
  申请人：Weintraub M. Philip

  公开号：US20070032489A1

  公开（公告）日：2007-02-08

  The present invention relates to a series of 2,3,5-substituted pyridone derivatives of formula I: wherein R, R 1 , R 2 , R 3 and R 4 are as defined herein. This invention also relates to methods of making these compounds. The compounds of this invention are inhibitors of poly(adenosine 5′-diphosphate ribose) polymerase (PARP) and are therefore useful as pharmaceutical agents, especially in the treatment and/or prevention of a variety of diseases, including diseases associated with the central nervous system and cardiovascular disorders.

  本发明涉及一系列公式I的2,3,5-取代吡啶酮衍生物，其中R，R1，R2，R3和R4如本文所定义。本发明还涉及制备这些化合物的方法。本发明的化合物是聚腺苷酸二磷酸核糖聚合酶（PARP）的抑制剂，因此在治疗和/或预防各种疾病，包括与中枢神经系统和心血管疾病有关的疾病方面，具有药物学上的用途。