5-(difluoromethyl)picolinaldehyde | 955112-64-8

• 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: 5-(difluoromethyl)picolinaldehyde
• 英文别名: 5-(difluoromethyl)-2-pyridinecarboxaldehyde；5-(Difluoromethyl)pyridine-2-carbaldehyde
• CAS: 955112-64-8
• 化学式: C₇H₅F₂NO
• 分子量: 157.12
• InChiKey: WFMJTFFIAWTSRQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  30
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P261,P264,P270,P271,P272,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H315,H319,H332,H335,H317

反应信息

• 作为反应物：
  描述：

  5-(difluoromethyl)picolinaldehyde 在 吡啶 、 三乙烯二胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 水 为溶剂， 反应 19.0h， 生成 methyl 6-(difluoromethyl)indolizine-2-carboxylate
  参考文献：
  名称：

  [EN] SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME
  [FR] AMIDES TRICYCLIQUES SUBSTITUÉS, ANALOGUES DE CEUX-CI ET PROCÉDÉS LES METTANT EN OEUVRE

  摘要：

  本公开涵盖了替代三环酰胺，或其类似物的化合物，其化学式为(I)，其中X、Y、环A、R1、R5、R6和R7如本文所定义，并包括化合物(I)的组合物，可用于治疗或预防患者体内的乙型肝炎病毒（HBV）和/或丙型肝炎病毒（HDV）感染。

  公开号：

  WO2021229302A1
• 作为产物：
  描述：

  (5-(difluoromethyl)pyridin-2-yl)methanol 在 manganese(IV) oxide 作用下， 以 氯仿 为溶剂， 反应 4.0h， 以75%的产率得到5-(difluoromethyl)picolinaldehyde
  参考文献：
  名称：

  High-Efficacy 5-HT_1A Agonists for Antidepressant Treatment:  A Renewed Opportunity

  摘要：

  We report the discovery of novel 5-HT1A receptor agonists and describe the process that led to the antidepressant candidate 9 (F 15599). 9 has nanomolar affinity for 5-HT1A binding sites and is over 1000-fold selective with respect to the other 5-HT1 receptor subtypes, 5-HT2-7 receptor families, and also numerous GPCRs, transporters, ion channels, and enzymes. In a cellular model of signal transduction, 9 activates h5-HT1A receptors with an efficacy superior to that of the prototypical 5-HT1A agonist (+/-)-8-OH-DPAT and comparators undergoing clinical trials. After acute oral administration in rats, 9 totally reverses immobility in the forced swimming test and produces behaviors characteristic of 5-HT1A receptor activation. However, these effects occurred at widely separated doses, suggesting that 9 discriminates between distinct populations of 5-HT1A receptors. While the clinical relevance of these observations is still unknown, this opens new perspectives for the treatment of depressive disorders.

  DOI：

  10.1021/jm070714l

文献信息

• [EN] PROSTAGLANDIN EP4 RECEPTOR ANTAGONIST COMPOUNDS<br/>[FR] COMPOSÉS ANTAGONISTES DU RÉCEPTEUR DE LA PROSTAGLANDINE EP4
  申请人：HEPTARES THERAPEUTICS LTD

  公开号：WO2021069927A1

  公开（公告）日：2021-04-15

  The disclosures herein relate to novel compounds of formula (1): (1) and salts thereof, wherein A, X, R1, R2, R3, R4, R10 and R11 are defined herein, and their use in treating, preventing, ameliorating, controlling or reducing the risk of disorders associated with EP4 receptors.

  本公开涉及式（1）的新化合物及其盐：（1），其中A、X、R1、R2、R3、R4、R10和R11在此处定义，并其在治疗、预防、改善、控制或减少与EP4受体相关的疾病风险方面的用途。
• [EN] TRICYCLIC CARBOXAMIDE DERIVATIVES AS PRMT5 INHIBITORS<br/>[FR] DÉRIVÉS DE CARBOXAMIDE TRICYCLIQUES EN TANT QU'INHIBITEURS DE PRMT5
  申请人：AMGEN INC

  公开号：WO2022115377A1

  公开（公告）日：2022-06-02

  Described herein are compounds of Formula (I) and pharmaceutically acceptable salts thereof, as well as pharmaceutical compositions thereof. Compounds of the present invention are useful for inhibiting PRMT5 activity and may have use in treating proliferative, such as cancer, metabolic and blood disorders. Compounds of Formula (I) have the following structure of Formule (I).

  本文描述了公式（I）的化合物及其药学上可接受的盐，以及其药物组成物。本发明的化合物可用于抑制PRMT5活性，并可用于治疗增殖性疾病，如癌症、代谢和血液疾病。公式（I）的化合物具有以下结构公式（I）。
• PYRIMIDINE DERIVATIVE
  申请人：ASKA Pharmaceutical Co., Ltd.

  公开号：EP3372589A1

  公开（公告）日：2018-09-12

  A compound represented by the formula (1), or a salt thereof (X represents carbonyl group, or sulfonyl group; R1 represents hydrogen atom, a halogen atom, an alkyl group, an alkanoyl group, cyano group, or carboxyl group; R2 represents an alkyl group, a cyclic carbon group, or a heterocyclic group; R3 represents hydrogen atom, or 1 to 3 substituents; R4 and R5 represents hydrogen atom, a halogen atom, or an alkyl group; and R6 represents an alkyl group, or an alkoxy group), which has an mPGES-1 inhibitory action, and is useful as an active ingredient of a medicament for prophylactic and/or therapeutic treatment of inflammation, pain, rheumatism, and the like.

  由式（1）代表的化合物或其盐（X 代表羰基或磺酰基；R1 代表氢原子、卤素原子、烷基、烷酰基、氰基或羧基；R2 代表烷基、环碳基或杂环基；R3 代表氢原子或 1 至 3 个取代基；R4和R5代表氢原子、卤素原子或烷基；R6代表烷基或烷氧基），具有抑制mPGES-1的作用，可作为预防和/或治疗炎症、疼痛、风湿等药物的活性成分。
• Pyrimidine derivative
  申请人：ASKA PHARMACEUTICAL CO., LTD.

  公开号：US10710967B2

  公开（公告）日：2020-07-14

  A compound represented by the formula (1), or a salt thereof (X represents carbonyl group, or sulfonyl group; R1 represents hydrogen atom, a halogen atom, an alkyl group, an alkanoyl group, cyano group, or carboxyl group; R2 represents an alkyl group, a cyclic carbon group, or a heterocyclic group; R3 represents hydrogen atom, or 1 to 3 substituents; R4 and R5 represents hydrogen atom, a halogen atom, or an alkyl group; and R6 represents an alkyl group, or an alkoxy group), which has an mPGES-1 inhibitory action, and is useful as an active ingredient of a medicament for prophylactic and/or therapeutic treatment of inflammation, pain, rheumatism, and the like.

  由式（1）代表的化合物或其盐（X 代表羰基或磺酰基；R1 代表氢原子、卤素原子、烷基、烷酰基、氰基或羧基；R2 代表烷基、环碳基或杂环基；R3 代表氢原子或 1 至 3 个取代基；R4和R5代表氢原子、卤素原子或烷基；R6代表烷基或烷氧基），具有抑制mPGES-1的作用，可作为预防和/或治疗炎症、疼痛、风湿等药物的活性成分。
• PROSTAGLANDIN EP4 RECEPTOR ANTAGONIST COMPOUNDS
  申请人：Heptares Therapeutics Limited

  公开号：US20220411364A1

  公开（公告）日：2022-12-29

  The disclosures herein relate to novel compounds of formula (1): (1) and salts thereof, wherein A, X, R 1 , R 2 , R 3 , R 4 , R 10 and R 11 are defined herein, and their use in treating, preventing, ameliorating, controlling or reducing the risk of disorders associated with EP 4 receptors.