2,5-二甲基-4-吡啶羧酸 | 951030-57-2

• 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: 2,5-二甲基-4-吡啶羧酸
• 英文名称: 2,5-dimethylisonicotinic acid
• 英文别名: 2,5-Dimethylpyridine-4-carboxylic acid
• CAS: 951030-57-2
• 化学式: C₈H₉NO₂
• 分子量: 151.165
• InChiKey: CADZSRNNJKOKIR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methanamine 、 2,5-二甲基-4-吡啶羧酸 在 (1-cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylaminomorpholinocarbenium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.5h， 以71%的产率得到N‐({2‐benzyl‐2‐azabicyclo[2.1.1]hexan‐1‐yl}methyl)‐2,5‐dimethylpyridine‐4‐carboxamide
  参考文献：
  名称：

  逃离平地：富含 sp3 的桥连吡咯烷衍生物的抗疟活性

  摘要：

  我们利用合成光化学生成了新型富含sp 3 的支架，并报告了基于 1-（氨基-甲基）-2-苄基-2-氮杂-双环 [2.1 .1]己烷支架。该文库的初步抗疟筛选提供了有希望的化合物，其活性范围为 1–5 μM，并具有更高的命中率。所选化合物 ( 9 ) 的进一步评估（溶解度、药物代谢和药代动力学 (DMPK) 和毒性）表明，该系列代表了进一步优化的绝佳机会，该框架为添加独特的矢量定位的额外功能提供了多种机会。

  DOI：

  10.1021/acsmedchemlett.0c00486

文献信息

• [EN] METHODS OF CULTURING AND/OR EXPANDING STEM CELLS AND/OR LINEAGE COMMITTED PROGENITOR CELLS USING AMIDO COMPOUNDS<br/>[FR] PROCÉDÉS DE CULTURE ET/OU D'EXPANSION DE CELLULES SOUCHES ET/OU DE CELLULES PROGÉNITRICES DÉTERMINÉES D'UNE LIGNÉE À L'AIDE DE COMPOSÉS AMIDO
  申请人：IDEAYA BIOSCIENCES INC

  公开号：WO2020018848A1

  公开（公告）日：2020-01-23

  Provided are methods for expanding stem cells and/or lineage committed progenitor cells, such as hematopoietic stems cells and/or lineage committed progenitor cells, at least in part, by using compounds that antagonize AhR. The compounds are represented by formulae (I) (II) (III) (IV), wherein the letters and symbols a, b, c, d, e, f, g, Z, R1b, R2a and R2b have the meanings provided in the specification. Also provided are compositions comprising stem cells and/or lineage committed progenitor cells expanded by methods disclosed herein and methods for the treatment of diseases treatable by same.

  提供了一种扩增干细胞和/或系谱承诺的前体细胞的方法，例如造血干细胞和/或系谱承诺的前体细胞，至少部分地通过使用拮抗AhR的化合物。这些化合物由公式 (I) (II) (III) (IV) 表示，其中字母和符号 a、b、c、d、e、f、g、Z、R1b、R2a 和 R2b 在说明书中有提供的含义。还提供了包含通过本文披露的方法扩增的干细胞和/或系谱承诺的前体细胞的组合物，以及用于治疗可通过相同方法治疗的疾病的方法。
• [EN] AMIDO COMPOUNDS AS AhR MODULATORS<br/>[FR] COMPOSÉ AMIDO UTILISÉS COMME MODULATEURS DU AHR
  申请人：IDEAYA BIOSCIENCES INC

  公开号：WO2019018562A1

  公开（公告）日：2019-01-24

  Provided herein are compounds, compositions and methods of using the compounds and compositions for the treatment of diseases modulated, as least in part, by AhR. The compounds are represented by formulae Formula (I), (II), (III), (iv): wherein the letters and symbols a, b, c, d, e, f, g, Z, R1b, R2a and R2b have the meanings provided in the specification.

  本文提供了化合物、组合物及使用这些化合物和组合物治疗至少部分受AhR调节的疾病的方法。这些化合物由以下公式表示：公式（I）、（II）、（III）、（iv）：其中字母和符号a、b、c、d、e、f、g、Z、R1b、R2a和R2b的含义如规范中所述。
• [EN] HERBICIDAL PYRIDINE COMPOUNDS<br/>[FR] COMPOSÉS DE PYRIDINE HERBICIDES
  申请人：BASF SE

  公开号：WO2018019770A1

  公开（公告）日：2018-02-01

  The present invention relates to the pyridine compounds of formula (I), or their agriculturally acceptable salts or derivatives as herbicides, wherein the variables are defined according to the description, use of pyridine compounds of formula (I) as herbicide, compositions comprising them and their use as herbicides, i.e. for controlling harmful plants, and also a method for controlling unwanted vegetation which comprises allowing a herbicidal effective amount of at least one pyridine compounds of the formula (I) to act on plants, their seed and/or their habitat.

  本发明涉及公式（I）的吡啶化合物，或其在农业上可接受的盐或衍生物作为除草剂，其中变量根据说明定义，使用公式（I）的吡啶化合物作为除草剂，包含它们的组合物以及它们作为除草剂的使用，即用于控制有害植物，还包括一种控制不需要的植被的方法，其中包括让至少一种公式（I）的除草剂有效量作用于植物、它们的种子和/或它们的栖息地。
• AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF
  申请人：Sugasawa Keizo

  公开号：US20100249088A1

  公开（公告）日：2010-09-30

  [Object] To provide a therapeutic and/or prophylactic agent for urinary frequency, urinary urgency, and urinary incontinence associated with various lower urinary tract diseases including overactive bladder, various lower urinary tract diseases accompanied by lower urinary tract pain, such as interstitial cystitis, chronic prostatitis, and the like, and various diseases accompanied by pain, based on an excellent trkA receptor inhibitory action. [Means for Solution] A novel azolecarboxamide compound in which a thiazole ring or an oxazole ring is bonded to a benzene ring, a pyridine ring, a pyridazine ring, a thiophene ring, a pyrazole ring or a pyrrole ring through carboxamide, or a salt thereof is confirmed to have a potent trkA receptor inhibitory activity, and found to be capable of being used as a therapeutic and/or prophylactic agent which is excellent in efficacy and safety for urinary frequency, urinary urgency, and urinary incontinence associated with various lower urinary tract diseases including overactive bladder, various lower urinary tract diseases accompanied by lower urinary tract pain, such as interstitial cystitis, chronic prostatitis, and the like, and various diseases accompanied by pain, thereby completing the present invention.

  [目的] 提供一种治疗和/或预防下尿道疾病引起的尿频、尿急和尿失禁的治疗剂和/或预防剂，包括膀胱过度活动、伴有下尿道疼痛的各种下尿道疾病，如间质性膀胱炎、慢性前列腺炎等，以及伴有疼痛的各种疾病，基于出色的trkA受体抑制作用。 [解决方案] 发现一种新型的唑类羧酰胺化合物，其中一种噻唑环或噁唑环通过羧酰胺键与苯环、吡啶环、吡嗪环、噻吩环、吡唑环或吡咯环结合，或其盐具有强效的trkA受体抑制活性，并发现它能够被用作治疗和/或预防剂，对于包括膀胱过度活动、伴有下尿道疼痛的各种下尿道疾病，如间质性膀胱炎、慢性前列腺炎等，以及伴有疼痛的各种疾病，具有出色的疗效和安全性，从而完成了本发明。
• AMIDO COMPOUNDS AS AhR MODULATORS
  申请人：IDEAYA BIOSCIENCES, INC.

  公开号：US20210115016A1

  公开（公告）日：2021-04-22

  Provided herein are compounds, compositions and methods of using the compounds and compositions for the treatment of diseases modulated, as least in part, by AhR. The compounds are represented by formulae Formula (I), (II), (III), (iv): wherein the letters and symbols a, b, c, d, e, f, g, Z, R 1b , R 2a and R 2b have the meanings provided in the specification.