(5-溴-6-甲基-2-吡啶基)甲醇 | 137778-11-1

• 物质功能分类: 医药中间体 - 杂环化合物
• 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
• 中文名称: (5-溴-6-甲基-2-吡啶基)甲醇
• 英文名称: (5-bromo-6-methylpyridin-2-yl)methanol
• 英文别名: 3-bromo-2-methyl-6-pyridylmethanol
• CAS: 137778-11-1
• 化学式: C₇H₈BrNO
• 分子量: 202.051
• InChiKey: JUUUESPVQDOIBC-UHFFFAOYSA-N

物化性质

• 沸点：
  268.4±35.0 °C(Predicted)
• 密度：
  1.567±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  33.1
• 氢给体数：
  1
• 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-溴-6-甲基-2-吡啶基)甲醇 在 selenium(IV) oxide 、 硝酸 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 4.5h， 生成 5-溴-6-甲基吡啶-2-甲酸
  参考文献：
  名称：

  Ban-Oganowska, Hanna; Talik, Tadeusz, Polish Journal of Chemistry, 1991, vol. 65, # 2-3, p. 289 - 295

  摘要：

  DOI：
• 作为产物：
  描述：

  2,6-二甲基-3-溴吡啶 在 盐酸 、 乙酸酐 作用下， 反应 6.0h， 生成 (5-溴-6-甲基-2-吡啶基)甲醇
  参考文献：
  名称：

  Structural and spectroscopic evidence of hydrogen bonding in 3-bromo-5-hydroxy-2,6-dimethylpyridine and 3-chloro-5-hydroxy-2,6-dimethylpyridine

  摘要：

  The crystal structures of 3-chloro-5-hydroxy-2,6-dimethylpyridine (ClHDMP) and 3-bromo-5-hydroxy-2, 6-dimethylpyridine (BrHDMP) were determined at room temperature. Although ClHDMP is monoclinic, space group P2(1)/c, and BrHDMP is orthorhombic, space group Pna2(1), the molecular conformation is essentially the same in both compounds. The structure consists of two parallel infinite chains of formula units linked through hydrogen bonds of the type O-H...N. There is no interconnection between the chains.Fourier transform IR and Raman spectra of ClHDMP and BrHDMP were measured in the 50-3500 cm(-1) frequency range at room temperature. The vibrational assignment of the observed bands is proposed. The appearance of the characteristic vibrational features in the spectra of these compounds is discussed in terms of strong asymmetric hydrogen bonding. The bands observed at approximately 2800-2850, 2500-2550 and 1800-1850 cm(-1) are assigned to the O-H stretching modes and those at 1400-1410 and 900-950 cm(-1) to delta(O-H) and gamma(O-H) modes, respectively. The nu(O-H) vibrations of the hydrogen bonds appear at 130-140 cm(-1). The calculation of gamma(O-H) frequencies and other parameters describing the strong hydrogen bonding, such as the Fermi coupling constant \W\, the separation of the unperturbed vibrational levels (Delta(0)), etc., has been performed. The positions of gamma(O-H) bands have been found to agree with those predicted from the perturbed nu(O-H) patterns. Comparison of the structural and vibrational characteristics of hydrogen bonds in ClHDMP and BrHDMP has indicated that a stronger hydrogen bonding exists in the bromo-derivative. (C) 1997 Elsevier Science B.V.

  DOI：

  10.1016/s0022-2860(96)09359-3

文献信息

• 4,4-DISUBSTITUTED PIPERIDINES
  申请人：Herold Peter

  公开号：US20100267713A1

  公开（公告）日：2010-10-21

  The application relates to 4,4-disubstituted piperidines of the general formula (I) and their salts, preferably their pharmaceutically acceptable salts, in which R 2 , has the meanings explained in the description, a process for their preparation and the use of these compounds as medicines, especially as renin inhibitors.

  该申请涉及一般式（I）的4,4-二取代哌啶及其盐，最好是它们的药用可接受盐，其中R2在描述中有解释，以及它们的制备方法以及将这些化合物用作药物，特别是作为肾素抑制剂。
• Compounds
  申请人：GLAXO GROUP LIMITED

  公开号：EP2080761A1

  公开（公告）日：2009-07-22

  Compounds of Formula (I), compositions containing them, their use in therapy, including their use as antibacterials, for example in the treatment of tuberculosis, and methods for the preparation of such compounds, are provided.

  公式（I）的化合物， 包含它们的组合物，它们在治疗中的使用，包括它们作为抗菌剂的使用，例如在结核病治疗中的使用，以及制备这类化合物的方法，均已提供。
• Diverse, Potent, and Efficacious Inhibitors That Target the EED Subunit of the Polycomb Repressive Complex 2 Methyltransferase
  作者：Sharan K. Bagal、Clare Gregson、Daniel H. O’ Donovan、Kurt G. Pike、Andrew Bloecher、Peter Barton、Alexandra Borodovsky、Erin Code、Shaun M. Fillery、Jessie Hao-Ru Hsu、Sameer P. Kawatkar、Chengzhi Li、David Longmire、Youfeng Nai、Samuel C. Nash、Andrew Pike、James Robinson、Jon A. Read、Phillip B. Rawlins、Minhui Shen、Jia Tang、Peng Wang、Haley Woods、Beth Williamson

  DOI：10.1021/acs.jmedchem.1c01161

  日期：2021.12.9

  histone methyltransferase polycomb repressive complex 2 (PRC2) has been linked to several cancers, with small-molecule inhibitors of the catalytic subunit of the PRC2 enhancer of zeste homologue 2 (EZH2) being recently approved for the treatment of epithelioid sarcoma (ES) and follicular lymphoma (FL). Compounds binding to the EED subunit of PRC2 have recently emerged as allosteric inhibitors of PRC2

  组蛋白甲基转移酶多梳抑制复合物 2 (PRC2) 的异常活性与几种癌症有关，最近批准了 Zeste 同源物 2 (EZH2) 的 PRC2 增强子催化亚基的小分子抑制剂用于治疗上皮样肉瘤。 ES) 和滤泡性淋巴瘤 (FL)。与PRC2 的EED 亚基结合的化合物最近已成为PRC2 甲基转移酶活性的变构抑制剂。与靶向 EZH2 的正构抑制剂相比，与 EED 结合的小分子在 EZH2 抑制剂抗性细胞系中保持其功效。在本文中，我们公开了具有良好溶解度的有效且口服生物可利用的 EED 配体的发现。通过各种设计策略优化 EED 配体的溶解度，
• [EN] 7A-AMIDE SUBSTITUTED-6,6-DIFLUORO BICYCLIC HIMBACINE DERIVATIVES<br/>[FR] DÉRIVÉS BICYCLIQUES DE 7A-AMIDE SUBSTITUÉ-6,6-DIFLUORO HIMBACINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2015026693A1

  公开（公告）日：2015-02-26

  The present invention relates to bicyclic himbacine derivatives of the formula (structurally represented) or a pharmaceutically acceptable salt thereof wherein: R1 is -[C(Ra)(Rb)]x-[C(Rb)(Rb)]y-C(0)NH2, or -N(H)-[(CH2)]zC(0)-NH2; W is any of the recited compounds and the remaining variables are described herein. The compounds of the invention are effective inhibitors of the PAR -1 receptor. The inventive compounds may be used for the treatment or prophylaxis of disease states such as ASC, secondary prevention of myocardial infarction or stroke, or PAD.

  本发明涉及公式（结构表示）中的双环希巴辛衍生物或其药学上可接受的盐，其中：R1为-[C(Ra)(Rb)]x-[C(Rb)(Rb)]y-C(0)NH2，或-N(H)-[(CH2)]zC(0)-NH2；W为所述化合物中的任何一个，其余变量在此描述。本发明的化合物是PAR-1受体的有效抑制剂。这些创新的化合物可用于治疗或预防疾病状态，如ASC、心肌梗死或中风的二级预防，或PAD。
• GPR119 AGONIST
  申请人：Nippon Chemiphar Co., Ltd.

  公开号：EP2311822A1

  公开（公告）日：2011-04-20

  A cyclic amine derivative represented by the formula (II) is a GPR119 agonist, and is used as an agent for treating diabetes. wherein Ar0 is phenyl or phenyl having a substituent such as C1-8 alkylsulfonyl or the like, pyridyl, or pyridyl having a substituent such as C1-8 alkylsulfonyl; A0 is (CH2)p, O, or the like; B0 is (CH2)q, or the like, provided that B0 is neither O nor NR25 when A0 is O or NR24; one of U0 and V0 is N, and the other is N or CR26; each of X0\ and Y0 is C1-3 alkylene or C1-3 alkylene having a substituent; R23 is a C1-8 alkyl group or the like; each of R21 and R22 is hydrogen, a halogen atom, or the like.

  公式（II）表示的环胺衍生物是GPR119激动剂，用作治疗糖尿病。其中Ar0是苯或带有取代基如C1-8烷基磺酰基等的苯基，吡啶基，或带有取代基如C1-8烷基磺酰基的吡啶基；A0是（CH2）p，O，或类似物；B0是（CH2）q，或类似物，前提是当A0为O或NR24时，B0既不是O也不是NR25；U0和V0中的一个是N，另一个是N或CR26；X0和Y0中的每一个是C1-3烷基或带有取代基的C1-3烷基；R23是C1-8烷基或类似物；R21和R22中的每一个是氢，卤素原子，或类似物。