3-(氯甲基)异喹啉 | 147937-36-8

• 物质功能分类: 医药中间体 - 杂环化合物 - 异喹啉类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 中文名称: 3-(氯甲基)异喹啉
• 中文别名: 3-氯甲基异喹啉
• 英文名称: 3-chloromethyl isoquinoline
• 英文别名: 3-(Chloromethyl)isoquinoline
• CAS: 147937-36-8
• 化学式: C₁₀H₈ClN
• 分子量: 177.633
• InChiKey: RWMIUVLOQIOJGB-UHFFFAOYSA-N

物化性质

• 沸点：
  310.8±17.0 °C(Predicted)
• 密度：
  1.229±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  12
• 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：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2933499090
• 包装等级：
  II
• 危险类别：
  8
• 危险性防范说明：
  P501,P260,P234,P264,P280,P390,P303+P361+P353,P301+P330+P331,P363,P304+P340+P310,P305+P351+P338,P310,P406,P405
• 危险品运输编号：
  3261
• 危险性描述：
  H314,H290

反应信息

• 作为反应物：
  描述：

  3-(氯甲基)异喹啉 在 platinum(IV) oxide 氢气 、 caesium carbonate 、 potassium iodide 作用下， 以 乙醇 、 丙酮 为溶剂， 生成 3-(Isoquinolin-3-ylmethoxy)aniline
  参考文献：
  名称：

  N-[(Arylmethoxy)phenyl] and N-[(arylmethoxy)naphthyl] sulfonamides: potent orally active leukotriene d4 antagonists of novel structure

  摘要：

  Two series of compounds, N-[(arylmethoxy)phenyl] sulfonamides and N-[(arylmethoxy)naphthyl] sulfonamides, were prepared as leukotriene D4 (LTD4) antagonists. In the phenyl series, N-[3-(2-quinolinylmethoxy)phenyl]-trifluoromethanesulfonamide (Wy-48,252, 16) was the most potent inhibitor of LTD4-induced bronchoconstriction in the guinea pig. With an intragastric ID50 of 0.1 mg/kg (2-h pretreatment), 16 was 300 times more potent than LY-171,883. Compound 16 also intragastrically inhibited ovalbumin-induced bronchoconstriction in the guinea pig with an ID50 of 0.6 mg/kg. In vitro against LTD4-induced contraction of isolated guinea pig trachea pretreated with indomethacin and L-cysteine, 16 produced a pKB value of 7.7. In the rat PMN assay 16 inhibited both 5-lipoxygenase and cyclooxygenase (IC50's = 4.6 and 3.3 microM). In the naphthyl series, N-[7-(2-quinolinylmethoxy)-2-naphthyl]trifluoromethanesulfonamide (Wy-48,090, 47) in addition to potent LTD4 antagonist activity (on isolated guinea pig trachea 47 had a pKB value of 7.04) also had antiinflammatory activity (63% inhibition at 50 mg/kg in the rat carrageenan paw edema assay and 34% inhibition of TPA-induced inflammation at 1 mg/ear in the mouse ear edema model). Perhaps the antiinflammatory activity of 47 was due to its additional activity of inhibiting both 5-lipoxygenase and cyclooxygenase enzymes (IC50's = 0.23 and 11.9 microM, respectively, in rat PMN).

  DOI：

  10.1021/jm00126a006
• 作为产物：
  描述：

  3-甲醇异喹啉 、 氯化亚砜 反应 0.5h， 生成 3-(氯甲基)异喹啉
  参考文献：
  名称：

  Therapeutic Compounds 570

  摘要：

  公式I的化合物或其药学上可接受的盐：其中R1、R2、R3、R4和R5如规范中所定义，以及制备包括这些化合物的盐和药物组合物。它们在治疗中有用，特别是在疼痛管理方面。

  公开号：

  US20090099195A1

文献信息

• SUBSTITUTED ARYL AND HETEROARYL CARBOXYLIC ACID HYDRAZIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS
  申请人：BAYER CROPSCIENCE AKTIENGESELLSCHAFT

  公开号：US20180206495A1

  公开（公告）日：2018-07-26

  Substituted aryl- and heteroarylcarbonyl hydrazides The invention relates to substituted aryl- and heteroarylcarbonyl hydrazides of the general formula (I) or salts thereof where the radicals of the formula (I) are each as defined in the description for enhancing stress tolerance in plants to abiotic stress, and for enhancing plant growth and/or for increasing plant yield.

  该发明涉及通式（I）的取代芳基和杂芳基羰基肼或其盐，其中通式（I）的基团如描述中所定义，用于增强植物对非生物胁迫的耐受性，促进植物生长和/或增加植物产量。
• Pyrimidine-thioalkyl and alkylether compounds
  申请人：PHARMACIA & UPJOHN COMPANY

  公开号：EP1247804A1

  公开（公告）日：2002-10-09

  The subject invention relates to pyrimidine-thioalkyl and alkylether compounds of Formula I and pyrimidine-thioalkyl and alkylethers of Formula IA, namely the compounds of Formula I where R4 is selected from the group consisting of -H or -NR15R16 where R15 is -H and R16 is -H, C1-C6 alkyl, -NH2 or R15 and R16 taken together with the -N form 1-pyrrolidino, 1-morpholino or 1-piperidino; and R6 is selected from the group consisting of -H, or halo (preferably -Cl); with the overall provisio that R4 and R6 are not both -H; The compounds of Formula IA are useful in the treatment of individuals who are HIV positive.

  该发明涉及Formula I的嘧啶硫代烷基和烷基醚化合物，以及Formula IA的嘧啶硫代烷基和烷基醚化合物，即Formula I中R4选自-H或-NR15R16的基团，其中R15为-H，R16为-H，C1-C6烷基，-NH2或R15和R16一起与-N形成1-吡咯啉基、1-吗啉基或1-哌啶基；以及R6选自-H或卤素（优选-Cl）的基团，总体规定是R4和R6不能同时为-H；Formula IA的化合物在治疗HIV阳性个体中是有用的。
• Asymmetric Epoxidation with H₂O₂by Manipulating the Electronic Properties of Non-heme Iron Catalysts
  作者：Olaf Cussó、Isaac Garcia-Bosch、Xavi Ribas、Julio Lloret-Fillol、Miquel Costas

  DOI：10.1021/ja4078446

  日期：2013.10.2

  catalyzes highly enantioselective epoxidation of olefins with H2O2 is described. Improvement of enantiomeric excesses is attained by the use of catalytic amounts of carboxylic acid additives. Electronic effects imposed by the ligand on the iron center are shown to synergistically cooperate with catalytic amounts of carboxylic acids in promoting efficient O-O cleavage and creating highly chemo- and

  描述了催化烯烃与 H2O2 的高度对映选择性环氧化的非血红素铁配合物。通过使用催化量的羧酸添加剂来改善对映体过量。配体对铁中心施加的电子效应显示出与催化量的羧酸协同作用，促进有效的 OO 裂解并产生高度化学和对映选择性的环氧化物质，从而以具有合成价值的产率和较短的反应时间提供广泛的环氧化物.
• 尿嘧啶类衍生物、其制备方法及其应用
  申请人：齐鲁制药有限公司

  公开号：CN103848811B

  公开（公告）日：2016-12-21

  本发明涉及一种通式I所示的尿嘧啶衍生物、其药学上可接受的盐、所述衍生物的溶剂合物及所述药学上可接受的盐的溶剂合物；本发明还涉及所述尿嘧啶衍生物的制备方法以及其作为治疗剂特别是作为二肽基肽酶‑Ⅳ（DPP‑Ⅳ）抑制剂的用途式I。
• [EN] CHEMOKINE CXCR4 RECEPTOR MODULATORS AND USES RELATED THERETO<br/>[FR] MODULATEURS DU RÉCEPTEUR CXCR4 DE CHIMIOKINE ET LEURS UTILISATIONS
  申请人：UNIV EMORY

  公开号：WO2018156595A1

  公开（公告）日：2018-08-30

  The disclosure relates to chemokine CXCR4 receptor modulators and uses related thereto. The receptor modulators can be formulated to form pharmaceutical compositions comprising the disclosed compounds or pharmaceutically acceptable salts or prodrugs thereof. The compositions may be used for managing CXCR4 related conditions, typically prevention or treatment of viral infections abnormal cellular proliferation, retinal degeneration, inflammatory diseases, or as an immunostimulant or immunosuppressant or for managing cancer and may be administered with another active ingredient such as an antiviral agent or chemotherapeutic agent.

  该披露涉及趋化因子CXCR4受体调节剂及其相关用途。这些受体调节剂可以配制成包含所披露的化合物或其药学上可接受的盐或前药的药物组合物。这些组合物可用于管理与CXCR4相关的疾病，通常用于预防或治疗病毒感染、异常细胞增殖、视网膜退化、炎症性疾病，或作为免疫刺激剂或免疫抑制剂，或用于癌症管理，并可与另一种活性成分一起给药，如抗病毒药物或化疗药物。