2-bromo-5-(dimethoxymethyl)pyridine | 174608-37-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-bromo-5-(dimethoxymethyl)pyridine
• CAS: 174608-37-8
• 化学式: C₈H₁₀BrNO₂
• 分子量: 232.077
• InChiKey: ZLJHRGDYANXILZ-UHFFFAOYSA-N

物化性质

• 沸点：
  273.9±35.0 °C(Predicted)
• 密度：
  1.435±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  31.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-bromo-5-(dimethoxymethyl)pyridine 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 水 、 sodium carbonate 、 对甲苯磺酸 、 溶剂黄146 、 β-丙氨酸 作用下， 以 乙醇 、 丙酮 、 甲苯 为溶剂， 反应 20.0h， 生成 (E,Z)-5-((6-(1-oxo-1,3-dihydroisobenzofuran-5-yl)pyridin-3-yl)methylene)-2-thioxoimidazolidin-4-one
  参考文献：
  名称：

  Inhibition of the pore-forming protein perforin by a series of aryl-substituted isobenzofuran-1(3H)-ones

  摘要：

  An aryl-substituted isobenzofuran-1(3H)-one lead compound was identified from a high throughput screen designed to find inhibitors of the lymphocyte pore-forming protein perforin. A series of analogs were then designed and prepared, exploring structure-activity relationships through variation of 2-thioxoimidazolidin-4-one and furan subunits on an isobenzofuranone core. The ability of the resulting compounds to inhibit the lytic activity of both isolated perforin protein and perforin delivered in situ by intact KHYG-1 natural killer effector cells was determined. Several compounds showed excellent activity at concentrations that were non-toxic to the killer cells. This series represents a significant improvement on previous classes of compounds, being substantially more potent and largely retaining activity in the presence of serum. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.12.011
• 作为产物：
  描述：

  2-溴-5-醛基吡啶 、 原甲酸三甲酯 在 对甲苯磺酸 作用下， 以 甲醇 为溶剂， 反应 4.0h， 以99%的产率得到2-bromo-5-(dimethoxymethyl)pyridine
  参考文献：
  名称：

  共价有机框架是光动力疗法的有利构造。

  摘要：

  设计并合成了具有2Dπ共轭的共价有机骨架（COF）作为分子光敏剂，以进行有效的光动力治疗。两个分子5'，5''''-（1,4-亚苯基）bis（（[[1,1'：3'，1''-三苯基] -4,4''-二甲醛））（L- 3C）和4,4'，4''-（1,4-亚苯基）bis（（[[2,2'：6'，2''-三吡啶] -5,5''-二甲醛））（L-对生成活性氧物种（ROS）无活性的3N）连接起来形成了两个COF，分别为COF-808和COF-909，具有极好的ROS生产效率。这些COF的高永久孔隙度（表面积2270和2610 m2 g-1）促进了氧气在细胞中的扩散和ROS的释放。这与出色的光稳定性和生物相容性相结合，导致了出色的PDT性能。体外，在使用浓度为50μgmL-1的COF-909进行PDT处理后，超过80％的肿瘤细胞被杀死150 s。在体内，在治疗10天后，观察到肿瘤大小急剧减少（从9毫米减小到小于1毫米）。

  DOI：

  10.1002/anie.201909020

文献信息

• Imidazolylamide derivative
  申请人：Sumitomo Dainippon Pharma Co., Ltd.

  公开号：US10898469B2

  公开（公告）日：2021-01-26

  The present invention pertains to an imidazolylamide derivative represented by formula (1) that exhibits an exceptional suppressive effect on cancer cell sphere formation ability and that is useful as an antitumor agent that can be administered orally, or a pharmacologically acceptable salt thereof. [In the formula, ring Q1 represents a C6-10 aryl group or the like; m represents 0, 1, 2, 3, 4, or 5; R3, independently when multiple, represent(s) a halogen atom or the like; R1 and R2 independently represent a hydrogen atom or the like; W1 represents a C1-4 alkylene group (said group may be substituted by 1-3 fluorine atoms or C3-7 cycloalkyls); W2 represents —NR4aC(O)— or the like (where R4a represents a hydrogen atom or C1-6 alkyl group); and ring Q2 represents a C6-10 arylgroup or the like]

  该发明涉及一种由式（1）表示的咪唑酰胺衍生物，该衍生物对癌细胞球形成能力具有显著的抑制作用，并且可作为一种口服抗肿瘤剂或其药理学上可接受的盐。【在该式中，环Q1代表C6-10芳基或类似物；m代表0、1、2、3、4或5；R3，当多个时，独立地代表卤原子或类似物；R1和R2独立地代表氢原子或类似物；W1代表C1-4烷基（该基团可被1-3氟原子或C3-7环烷基取代）；W2代表—NR4aC(O)—或类似物（其中R4a代表氢原子或C1-6烷基）；环Q2代表C6-10芳基或类似物】
• Practical acetalization and transacetalization of carbonyl compounds catalyzed by recyclable PVP-I
  作者：Di Wang、Fu-Rong Cao、Guangying Lu、Jiangmeng Ren、Bu-Bing Zeng

  DOI：10.1016/j.tet.2021.132250

  日期：2021.7

  A novel PVP-I catalyzed acetalizations/transacetalizations of carbonyl compounds has been developed processing with a mild and easy handling fashion. Different types of Acyclic and cyclic acetals were prepared from carbonyl compounds or their acetals successfully. Further applications of newly developed catalytic combination were testified. This protocol featured with simplicity of operation, mild

  已开发出一种新型 PVP-I 催化羰基化合物的缩醛化/转缩醛化，其处理方式温和且易于处理。以羰基化合物或其缩醛为原料成功制备了不同类型的无环和环状缩醛。证明了新开发的催化组合的进一步应用。该方案具有操作简单、反应条件温和、反应时间短、催化剂可回收利用、底物范围广、收率高等特点。
• Telomerase inhibitors and methods of their use
  申请人：——

  公开号：US20020120144A1

  公开（公告）日：2002-08-29

  Thiazolidinedione compounds, compositions, and methods of inhibiting telomerase activity in vitro and treatment of telomerase mediated conditions or diseases ex vivo and in vivo are provided. The methods, compounds and compositions of the invention may be employed alone, or in combination with other pharmacologically active agents in the treatment of conditions or diseases mediated by telomerase activity, such as in the treatment of cancer. Also disclosed are methods for assaying or screening for inhibitors of telomerase activity.

  本文提供了噻唑烷二酮化合物、组合物和方法，用于体外抑制端粒酶活性以及体内和体外治疗由端粒酶介导的疾病或病症。本发明的方法、化合物和组合物可以单独使用，也可以与其他药理活性剂结合在一起，用于治疗由端粒酶活性介导的疾病或病症，例如癌症的治疗。还公开了用于检测或筛选端粒酶活性抑制剂的方法。
• Imidazole derivatives and processes for the preparation thereof
  申请人：Korea Research Institute of Chemical Technology

  公开号：US05665738A1

  公开（公告）日：1997-09-09

  Novel imidazole derivatives of formula(I) inhibit effectively the action of angiotensin II and have a superior antihypertensive activity: ##STR1## wherein: A is a straight, branched or cyclic C.sub.1 -C.sub.6 alkyl group, or OR.sub.1 wherein R.sub.1 is a hydrogen, or a straight, branched or cyclic C.sub.1 -C.sub.6 alkyl radical; B is a halogen, CF.sub.3 or CF.sub.2 CF.sub.3 ; X is N or N-oxide; Y is --CH.sub.2 --, --CH(OR.sub.1)-- wherein R.sub.1 is the same as defined above, or --C(.dbd.O)--; n is 0 or an integer of 1 to 4; Z is a halogen, --OH, --OR.sub.1, --NR.sub.1 R.sub.2, --N(.dbd.O)R.sub.3 R.sub.4, --C(.dbd.O)R.sub.1, --C(.dbd.O)OR.sub.1, --CH(OR.sub.1).sub.2 or --C(.dbd.O)N.sub.1 N.sub.2 wherein R.sub.1 is the same as defined above, R.sub.2 is, independently of R.sub.1, a hydrogen, or a straight, branched or cyclic C.sub.1 -C.sub.6 alkyl radical, and R.sub.3 and R.sub.4 are independently a straight, branched or cyclic C.sub.1 -C.sub.6 alkyl radical; and D is a hydrogen, or a straight, branched or cyclic C.sub.1 -C.sub.6 alkyl radical.

  新型咪唑衍生物的化学式(I)有效抑制血管紧张素II的作用，并具有优越的降压活性：##STR1## 其中：A为直链、支链或环状的C.sub.1 -C.sub.6烷基基团，或OR.sub.1，其中R.sub.1为氢，或直链、支链或环状的C.sub.1 -C.sub.6烷基基团；B为卤素、CF.sub.3或CF.sub.2 CF.sub.3；X为N或N-氧化物；Y为--CH.sub.2--、--CH(OR.sub.1)--其中R.sub.1与上述定义相同，或--C(.dbd.O)--；n为0或1到4的整数；Z为卤素、--OH、--OR.sub.1、--NR.sub.1 R.sub.2、--N(.dbd.O)R.sub.3 R.sub.4、--C(.dbd.O)R.sub.1、--C(.dbd.O)OR.sub.1、--CH(OR.sub.1).sub.2或--C(.dbd.O)N.sub.1 N.sub.2其中R.sub.1与上述定义相同，R.sub.2是与R.sub.1独立的氢，或直链、支链或环状的C.sub.1 -C.sub.6烷基基团，R.sub.3和R.sub.4独立地是直链、支链或环状的C.sub.1 -C.sub.6烷基基团；D是氢，或直链、支链或环状的C.sub.1 -C.sub.6烷基基团。
• Heterocyclic derivatives as HDAC inhibitors
  申请人：DAC S.r.l.

  公开号：EP2133334A1

  公开（公告）日：2009-12-16

  This invention is related to new histone deacetylase inhibitors according to the general formula (I) wherein: the dotted line is an optional additional bond; R1 is hydrogen, halogen, C1-C6 alkyl, C1-C6 alkoxy, C1-C6 haloalkyl or C1 C6 haloalkoxy; R2, R3 are, independently, hydrogen; C1-C6 alkyl; aryl; or taken together with the carbon atoms to which they are bound form a bridged bicyclic ring or a fused heterocycle; X is CH or nitrogen; Y is a bond, oxygen, (CH2)mCR4R5(CH2)n, or (CH2)oNR6(CH2)p; m, n, o, p, R4, R5 and R6 are as further defined in the specification; and pharmaceutical acceptable salts thereof.

  这项发明涉及新的组蛋白去乙酰化酶抑制剂，其通式如下（I）：其中：虚线是可选的额外键；R1是氢、卤素、C1-C6烷基、C1-C6烷氧基、C1-C6卤烷基或C1-C6卤烷氧基；R2、R3分别是氢、C1-C6烷基、芳基；或者与它们相结合的碳原子形成桥接的双环或融合的杂环；X是CH或氮；Y是键、氧、（CH2）mCR4R5（CH2）n、或（CH2）oNR6（CH2）p；m、n、o、p、R4、R5和R6如规范中进一步定义；以及其药用可接受盐。