4-(氯甲基)喹啉盐酸盐 | 1822-57-7

• 物质功能分类: 医药中间体 - 杂环化合物 - 喹啉类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 中文名称: 4-(氯甲基)喹啉盐酸盐
• 英文名称: 4-(chloromethyl)-quinoline hydrochloride
• 英文别名: 4-(chloromethyl)quinoline monohydrochloride；4-(Chloromethyl)quinoline hydrochloride；4-(chloromethyl)quinoline;hydrochloride
• CAS: 1822-57-7
• 化学式: C₁₀H₈ClN*ClH
• 分子量: 214.094
• InChiKey: YCSBVZQGDUCJIN-UHFFFAOYSA-N

物化性质

• 熔点：
  203-204 °C

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  12.9
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2933499090

反应信息

• 作为反应物：
  描述：

  丙二酸二乙酯钠盐 、 4-(氯甲基)喹啉盐酸盐 以 四氢呋喃 为溶剂， 生成 [4]quinolylmethyl-malonic acid diethyl ester
  参考文献：
  名称：

  Oxidation of diethyl (pyridylmethyl)malonates with manganese(III) acetate, cerium(IV) ammonium nitrate, and iron(III) perchlorate in the presence of alkenes and alkynes

  摘要：

  The oxidation of substituted diethyl 2-, 3-, or 4-picolylmalonates (1a-g) by Mn(III) acetate in acetic acid, Ce(IV) ammonium nitrate in methanol or acetic acid, and Fe(III) perchlorate in acetonitrile in the presence of substituted alkenes (2) and alkynes (3) affords substituted tetra- or dihydroquinolines and/or isoquinolines (4-9) in good to excellent yield. The influence of reaction medium on yield and isomer distribution has been investigated. A mechanism involving oxidative deprotonation of malonic esters by high-valent metal salts to malonyl radicals, their addition to olefins, and intramolecular homolytic substitution to protonated or metal-complexed heteroaromatic bases by the resulting substituted carbon radicals is suggested.

  DOI：

  10.1021/jo00018a024
• 作为产物：
  描述：

  4-喹啉甲醛 在 sodium tetrahydroborate 、 氯化亚砜 、 乙醇 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 4-(氯甲基)喹啉盐酸盐
  参考文献：
  名称：

  SUBSTITUTED 6,7-DIALKOXY-3-ISOQUINOLINOL DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE10A)

  摘要：

  本发明涉及具有以下公式的化合物 其中R'，R1，到R7和Ar如本文所述定义。这些化合物作为磷酸二酯酶10（PDE10A）的抑制剂，可用于治疗中枢神经系统疾病，如精神疾病，也可用于治疗例如肥胖、2型糖尿病、代谢综合征、葡萄糖不耐受、疼痛和眼科疾病。

  公开号：

  US20120214837A1
• 作为试剂：
  描述：

  4-喹啉甲醇 、 喹啉-3-基甲醇 、 氯化亚砜 在 氮气 、 二氯甲烷 、 4-(氯甲基)喹啉盐酸盐 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以to give 4-(chloromethyl)quinoline hydrochloride MDE 32016 as an off-white solid (246 mg, 65% yield)的产率得到4-(氯甲基)喹啉盐酸盐
  参考文献：
  名称：

  Substituted 6,7-dialkoxy-3-isoquinolinol derivatives as inhibitors of phosphodiesterase 10 (PDE10A)

  摘要：

  本发明涉及以下式的化合物，其中R′，R1至R7和Ar的定义如本文所述。这些化合物可用作磷酸二酯酶10（PDE10A）的抑制剂，其在治疗中枢神经系统疾病，如精神病，以及在治疗肥胖症、2型糖尿病、代谢综合征、葡萄糖不耐受、疼痛和眼科疾病方面有用。

  公开号：

  US08772316B2

文献信息

• Certain substituted ureas, as modulators of kinase activity
  申请人：Mitchell A. Scott

  公开号：US20060270702A1

  公开（公告）日：2006-11-30

  Certain chemical entities chosen from compounds of Formula 1 and pharmaceutically acceptable salts, solvates, chelates, non-covalent complexes, and prodrugs thereof, are provided herein. Pharmaceutical compositions comprising at least one chemical entity and one or more pharmaceutically acceptable vehicles chosen from carriers, adjuvants, and excipients, are also provided herein. Methods of treating patients suffering from certain diseases and disorders responsive to angiogenic kinase modulation, which comprise administering to such patients an amount of at least one chemical entity effective to reduce signs or symptoms of the disease or disorder are disclosed. These diseases include cancer, including breast neoplasia, endometrial cancer, colon cancer, and neck squamous cell carcinoma. Methods of treatment include administering at least one chemical entity as a single active agent or administering such at least one chemical entity in combination with one or more other therapeutic agents. A method for determining the presence or absence of an angiogenic kinase in a sample comprising contacting the sample with at least one chemical entity under conditions that permit detection of activity of the angiogenic kinase, detecting a level of the activity of the angiogenic kinase, and therefrom determining the presence or absence of the angiogenic kinase in the sample.

  本文提供了从化合物1的化学实体和药用可接受的盐、溶剂化合物、螯合物、非共价复合物和前药中选择的某些化学实体。本文还提供了包括至少一种化学实体和一种或多种药用可接受载体（如载体、辅料和赋形剂）的药物组合物。公开了治疗对血管生成激酶调节敏感的某些疾病和疾病的方法，包括向这些患者施用至少一种化学实体的有效量以减少疾病或疾病症状的方法。这些疾病包括癌症，包括乳腺肿瘤、子宫内膜癌、结肠癌和颈部鳞状细胞癌。治疗方法包括将至少一种化学实体作为单一活性剂或将至少一种化学实体与一种或多种其他治疗剂结合使用的方法。一种用于确定样品中是否存在血管生成激酶的方法，包括将样品与至少一种化学实体接触在允许检测血管生成激酶活性的条件下，检测血管生成激酶活性水平，并从中确定样品中是否存在血管生成激酶。
• Substituted quinolinyl- and naphthalenylbenzamides or benzylamines and
  申请人：American Home Products Corpooration

  公开号：US05212182A1

  公开（公告）日：1993-05-18

  This invention relates to novel quinolinyl- and naphthalenylbenzamides or benylamines and related disclosed compounds of the formula ##STR1## wherein X is nitrogen, NO or CR.sup.1 ; Y is C(R.sup.1)(R.sup.2)O, OC(R.sup.1)(R.sup.2), C(R.sup.1)(R.sup.2)N(R.sup.3), N(R.sup.3)C(R.sup.1)(R.sup.2) or C(R.sup.1).dbd.C(R.sup.2); wherein R.sup.1, R.sup.2, and R.sup.3 are independently hydrogen or lower alkyl containing 1 to 10 carbon atoms; Z is oxygen or (R.sup.1)(R.sup.2); R.sup.4 is R.sup.1, benzyl, benzyl ring substituted with R.sup.5, benzyl alpha monosubstituted with R.sup.1, benzyl ring substituted with R.sup.5 and alpha monosubstituted with R.sup.1, phenyl, phenylalkyl containing 2 to 10 carbon atoms in the alkyl group or phenylalkyl ring substituted with R.sup.5 and containing 2 to 10 carbon atoms in the alkyl group; wherein R.sup.5 is R.sup.1, lower alkoxy containing 1 to 10 carbon atoms, halogen, trihalomethyl, NO.sub.2, N(R.sup.1)(R.sup.2) or C(O)N(R.sup.1)(R.sup.2); R.sup.6 is R.sup.1 or R.sup.6 is C(O)(R.sup.7) with the proviso that Z is not oxygen; and wherein R.sup.7 is R.sup.1, phenyl, perfluoroalkyl containing 1 to 10 carbon atoms, phenylalkyl containing 1 to 10 carbon atoms in the alkyl group; or a pharmaceutically acceptable acid addition salt thereof, and their use in the treatment of pain mediated by the biological peptide, bradykinin. In particular, the preferred compounds are where X is nitrogen, and Y is CH.sub.2 O of the above structure.

  这项发明涉及新型喹啉基和萘基苯甲酰胺或苯胺以及相关披露的化合物的公式 ##STR1## 其中X是氮、NO或CR.sup.1；Y是C(R.sup.1)(R.sup.2)O、OC(R.sup.1)(R.sup.2)、C(R.sup.1)(R.sup.2)N(R.sup.3)、N(R.sup.3)C(R.sup.1)(R.sup.2)或C(R.sup.1).dbd.C(R.sup.2)；其中R.sup.1、R.sup.2和R.sup.3独立地是氢或含有1至10个碳原子的较低烷基；Z是氧或(R.sup.1)(R.sup.2)；R.sup.4是R.sup.1、苄基、苄基环取代的R.sup.5、苄基α单取代的R.sup.1、苄基环取代的R.sup.5和α单取代的R.sup.1、苯基、含有2至10个碳原子的烷基苯基或取代的R.sup.5并含有2至10个碳原子的烷基苯基环；其中R.sup.5是R.sup.1、含有1至10个碳原子的较低烷氧基、卤素、三卤甲基、NO.sub.2、N(R.sup.1)(R.sup.2)或C(O)N(R.sup.1)(R.sup.2)；R.sup.6是R.sup.1或R.sup.6是C(O)(R.sup.7)，但Z不是氧；其中R.sup.7是R.sup.1、苯基、含有1至10个碳原子的全氟烷基、含有1至10个碳原子的烷基苯基；或其药学上可接受的酸盐，以及它们在治疗由生物肽布雷金介导的疼痛中的应用。特别是，首选化合物是X为氮，Y为上述结构的CH.sub.2 O。
• [EN] IMMUNOREGULATORY AGENTS<br/>[FR] AGENTS IMMUNORÉGULATEURS
  申请人：FLEXUS BIOSCIENCES INC

  公开号：WO2016073770A1

  公开（公告）日：2016-05-12

  Compounds that modulate the oxidoreductase enzyme indoleamine 2,3- dioxygenase, and compositions containing the compounds, are described herein. The use of such compounds and compositions for the treatment and/or prevention of a diverse array of diseases, disorders and conditions, including cancer- and immune-related disorders, that are mediated by indoleamine 2,3-dioxygenase is also provided.

  本文描述了调节氧化还原酶酶色氨酸2,3-二氧化酶的化合物，以及含有这些化合物的组合物。还提供了利用这些化合物和组合物治疗和/或预防多种疾病、紊乱和症状的用途，包括由色氨酸2,3-二氧化酶介导的癌症和免疫相关紊乱。
• Amino acid analogs as CCK antagonists
  申请人：Warner-Lambert Company

  公开号：US05331006A1

  公开（公告）日：1994-07-19

  Novel unnatural dipeptoids useful as agents in the treatment of obesity, hypersecretion of gastric acid in the gut, gastrin-dependent tumors, or as antipsychotics are disclosed. Further, the compounds are antianxiety agents and antiulcer agents. The compounds are agents useful for preventing the response to withdrawal from chronic treatment or use of nicotine, diazepam, alcohol, cocaine, caffeine, and opioids. The compounds are also useful in treating and/or preventing panic attacks. Also disclosed are pharmaceutical compositions and methods of treatment using the dipeptoids as well as processes for preparing them and novel intermediates useful in their preparation. An additional feature of the invention is the use of the subject compounds to prepare diagnostic compositions.

  揭示了作为肥胖、胃酸过多、胃泌素依赖性肿瘤治疗剂或抗精神病药物的新型非天然二肽类化合物。此外，这些化合物还是抗焦虑剂和抗溃疡剂。这些化合物是用于预防慢性治疗或使用尼古丁、安定、酒精、可卡因、咖啡因和阿片类药物戒断反应的药物。这些化合物还可用于治疗和/或预防恐慌发作。还公开了使用这些二肽类化合物的药物组合物和治疗方法，以及用于制备它们的过程和在制备中有用的新型中间体。该发明的另一个特点是使用这些化合物制备诊断组合物。
• [EN] SULPHONAMIDE DERIVATIVES AND THEIR USE AS TACE INHIBITORS<br/>[FR] DERIVES DE SULPHONAMIDE ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE TACE
  申请人：ASTRAZENECA AB

  公开号：WO2004024715A1

  公开（公告）日：2004-03-25

  Sulphonamide derivatives that are useful in the inhibition of metalloproteinases and in particular in the inhibition of TNF-α Converting Enzyme (TACE).

  对金属蛋白酶抑制和特别是对TNF-α转化酶（TACE）抑制有用的磺胺衍生物。