5-(苄氧基)-2-(氯甲基)吡啶 | 127590-90-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 5-(苄氧基)-2-(氯甲基)吡啶
• 英文名称: 3-(benzyloxy)-6-(chloromethyl)pyridine
• 英文别名: 5-benzyloxy-2-chloromethyl-pyridine；5-(Benzyloxy)-2-(chloromethyl)pyridine；2-(chloromethyl)-5-phenylmethoxypyridine
• CAS: 127590-90-3
• 化学式: C₁₃H₁₂ClNO
• 分子量: 233.697
• InChiKey: CTWNTPDUEZHHNW-UHFFFAOYSA-N

物化性质

• 沸点：
  365.4±32.0 °C(Predicted)
• 密度：
  1.198±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  22.1
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  5-(苄氧基)-2-(氯甲基)吡啶 在 硫酸 、 potassium tert-butylate 、 sodium carbonate 、 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 [1-allylcarbamoyl-2-(5-benzyloxy-pyridin-2-yl)-ethyl]-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Selective cytotoxicity of azatyrosinamides against ras-transformed NIH 3T3 cells

  摘要：

  This study aims to develop novel azatyrosinamide compounds structurally modified from ras-specific antioncogenic azatyrosine. Analogues 4-15 were prepared and their inhibition on the growth of wild-type and ras-transformed NIH 3T3 cell lines was compared. Compound 12 was found to be the most active with IC50 16.5 +/- 2.2 mu M which is 458-fold more potent than that of azatyrosine. The selective toxicity, defined as IC50 (wild-type)/IC50 (ras-transformed) for this compound was 138.5. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.06.048
• 作为产物：
  描述：

  2-羟基甲基-5-苄氧基吡啶 在 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 5-(苄氧基)-2-(氯甲基)吡啶
  参考文献：
  名称：

  Pyridine-2-propanoic acids: Discovery of dual PPARα/γ agonists as antidiabetic agents

  摘要：

  A series of novel pyridine-2-propanoic acids was synthesized. A structure-activity relationship study of these compounds led to the identification of potent dual PPARalpha/gamma agonists with varied isoform selectivity. Based on the results of efficacy studies in diabetic (db/db) mice, and the desired pharmacokinetic parameters, compound (S)-13 was selected for further profiling.

  DOI：

  10.1016/j.bmcl.2006.08.105

文献信息

• FGF-RECEPTOR AGONIST DIMERIC COMPOUNDS
  申请人：BONO Francoise

  公开号：US20090069368A1

  公开（公告）日：2009-03-12

  FGF receptor agonist compounds corresponding to the general formula: M1-L-M2 are disclosed in which M1 and M2, which may be identical or different, each represent, independently of one another, a monomer unit M, and L represents a linker group, wherein the monomer unit is of the general formula I.

  公开了对应于一般公式 M1-L-M2 的FGF受体激动剂化合物，其中M1和M2相同或不同，每个独立地表示一个单体单元M，L表示连接基团，其中单体单元是通用公式I。
• PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME
  申请人：Tanaka Keigo

  公开号：US20090082403A1

  公开（公告）日：2009-03-26

  Anti-fungal agent having excellent anti-fungal action physicochemical properties including safety and water solubility. Compound represented by formula (I), or salt thereof: wherein R 1 represents hydrogen, halogen, amino, R 11 —NH— wherein R 11 represents C 1-6 alkyl, hydroxy C 1-6 alkyl, C 1-6 alkoxy C 1-6 alkyl, or C 1-6 alkoxycarbonyl C 1-6 alkyl, R 12 —(CO)—NH— wherein R 12 represents C 1-6 alkyl group or C 1-6 alkoxy C 1-6 alkyl, C 1-6 alkyl, hydroxy C 1-6 alkyl, cyano C 1-6 alkyl, C 1-6 alkoxy, or C 1-6 alkoxy C 1-6 alkyl or a phosphonoamino group; R 2 represents hydrogen, C 1-6 alkyl, amino, or a di C 1-6 alkylamino group or a phosphonoamino group; one of X and Y is nitrogen while the other is nitrogen or oxygen; ring A represents a 5- or 6-member heteroaryl ring or a benzene ring which may have a halogen atom or 1 or 2 C 1-6 alkyl groups; Z represents a single bond, a methylene group, an ethylene group, oxygen, sulfur, —CH 2 O—, —OCH 2 —, —NH—, —CH 2 NH—, —NHCH 2 —, —CH 2 S—, or —SCH 2 —; R 3 represents hydrogen or halogen or C 1-6 alkyl, C 3-8 cycloalkyl, C 6-10 aryl, a 5- or 6-member heteroaryl group or a 5- or 6-member nonaromatic heterocyclic group which may have 1 or 2 substituents; and R 4 represents hydrogen or halogen; provided that either R 1 or R 2 represents a phosphonoamino group.

  抗真菌剂具有优异的抗真菌作用物理化学性质，包括安全性和水溶性。化合物由式（I）表示，或其盐： 其中R1代表氢，卤素，氨基，R11—NH—其中R11代表C1-6烷基，羟基C1-6烷基，C1-6烷氧基C1-6烷基，或C1-6烷氧羰基C1-6烷基，R12—（CO）—NH—其中R12代表C1-6烷基或C1-6烷氧基C1-6烷基，C1-6烷基，羟基C1-6烷基，氰基C1-6烷基，C1-6烷氧基，或C1-6烷氧基C1-6烷基或磷酰氨基团；R2代表氢，C1-6烷基，氨基，或二C1-6烷基氨基团或磷酰氨基团；X和Y中的一个是氮，另一个是氮或氧；环A代表5-或6-成员杂芳基环或可能具有卤素原子或1或2个C1-6烷基基团的苯环；Z代表单键，亚甲基基团，乙烯基团，氧，硫，—CH2O—，—OCH2—，—NH—，—CH2NH—，—NHCH2—，—CH2S—，或—SCH2—；R3代表氢或卤素或C1-6烷基，C3-8环烷基，C6-10芳基，5-或6-成员杂芳基团或可能具有1或2个取代基的5-或6-成员非芳香杂环基；和R4代表氢或卤素；前提是R1或R2中的一个代表磷酰氨基团。
• Heterocycles substituted pyridine derivatives and antifungal agent containing thereof
  申请人：Tanaka Keigo

  公开号：US20070105904A1

  公开（公告）日：2007-05-10

  An object of the present invention is to provide an antifungal agent which has excellent antifungal effects and is superior in terms of its physical properties, safety and metabolic stability. According to the present invention, there is disclosed a compound represented by the following formula (I), or a salt thereof: wherein R 1 represents a hydrogen atom, a halogen atom, an amino group, a C 1-6 alkyl group, a C 1-6 alkoxy group or a C 1-6 alkoxy C 1-6 alkyl group; R 2 represents a hydrogen atom, a C 1-6 alkyl group, an amino group or a di C 1-6 alkylamino group; one of X and Y is a nitrogen atom while the other is a nitrogen atom or an oxygen atom; ring A represents a 5- or 6-member heteroaryl ring or a benzene ring which may have a halogen atom, or 1 or 2 C 1-6 alkyl groups; Z represents a single bond, a methylene group, an ethylene group, an oxygen atom, a sulfur atom, —CH 2 O—, —OCH 2 —, —NH—, —CH 2 NH—, —NHCH 2 —, —CH 2 S—, or —SCH 2 —; R 3 represents a hydrogen atom, a halogen atom, a C 1-6 alkyl group, a C 3-8 cycloalkyl group, a C 6-10 aryl group, a 5- or 6-member heteroaryl group, or 5- or 6-member non-aromatic heterocyclic group which may have 1 or 2 substituents; and R 4 represents a hydrogen atom or a halogen atom.

  本发明的一个目的是提供一种具有优异的抗真菌效果并在其物理性质、安全性和代谢稳定性方面优越的抗真菌剂。根据本发明，公开了以下式(I)所代表的化合物或其盐： 其中R1代表氢原子、卤素原子、氨基、C1-6烷基、C1-6烷氧基或C1-6烷氧基C1-6烷基；R2代表氢原子、C1-6烷基、氨基或二C1-6烷基氨基中的一个；X和Y中的一个是氮原子，另一个是氮原子或氧原子；环A代表一个5-或6-成员杂芳基环或可能具有卤素原子、1个或2个C1-6烷基的苯环；Z代表一个单键、一个亚甲基基、一个乙烯基、一个氧原子、一个硫原子、-CH2O-、-OCH2-、-NH-、-CH2NH-、-NHCH2-、-CH2S-或-SCH2-；R3代表氢原子、卤素原子、C1-6烷基、C3-8环烷基、C6-10芳基、一个5-或6-成员杂芳基、或可能具有1个或2个取代基的5-或6-成员非芳香杂环基；R4代表氢原子或卤素原子。
• Novel amide derivatives and medicinal use thereof ugs
  申请人：——

  公开号：US20040138223A1

  公开（公告）日：2004-07-15

  The present invention relates to an amide derivative of the formula (1), having a C5a receptor antagonistic action 1 wherein each symbol is as defined in the specification. The above-mentioned amide derivative, an optically active form thereof and a pharmaceutically acceptable salt thereof are promising as an agent for the treatment or prophylaxis of diseases or syndromes caused by inflammation caused by C5a [e.g., autoimmune diseases such as rheumatism, systemic lupus erythematosus and the like, sepsis, adult respiratory distress syndrome, chronic obstructive pulmonary disease, allergic diseases such as asthma and the like, atherosclerosis, cardiac infarction, brain infarction, psoriasis, Alzheimer's disease and serious organ injury (e.g., pneumonia, nephritis, hepatitis and pancreatitis and the like) due to activation of leukocytes caused by ischemia reperfusion, trauma, burn, surgical invasion and the like]. Moreover, they are useful as a therapeutic or prophylactic agent for the infectious diseases caused by bacteria and virus that invade via a C5a receptor.

  本发明涉及一种式（1）的酰胺衍生物，具有C5a受体拮抗作用，其中每个符号如规范中所定义。上述酰胺衍生物及其光学活性形式和药学上可接受的盐被认为是治疗或预防因C5a引起的炎症引起的疾病或综合症的药物，如自身免疫性疾病，如风湿病，系统性红斑狼疮等，败血症，成人呼吸窘迫综合症，慢性阻塞性肺疾病，哮喘等过敏性疾病，动脉粥样硬化，心脏梗死，脑梗死，牛皮癣，老年痴呆症和严重器官损伤（如肺炎，肾炎，肝炎，胰腺炎等）由于缺血再灌注，创伤，烧伤，手术入侵等引起的白细胞激活。此外，它们对通过C5a受体侵入的细菌和病毒引起的传染病也有用作治疗或预防剂。
• Novel pyridylmethylaminopyrimidines
  申请人：——

  公开号：US20040158066A1

  公开（公告）日：2004-08-12

  Pyridylmethylaminopyrimidine compounds of a certain general formula I, in which the substituents and symbols are as defined in the description, are suitable for controlling Helicobacter bacteria.

  某一般式I的吡啶甲基氨基嘧啶化合物，在其中取代基和符号的定义如描述中所述，适用于控制幽门螺杆菌。