2-chloro-6-methoxypyrimidine-4-carboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-chloro-6-methoxypyrimidine-4-carboxylic acid
• 化学式: C₆H₅ClN₂O₃
• mdl: MFCD02933599
• 分子量: 188.57
• InChiKey: UIUZAPSUOBAVAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  72.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-氯-6-甲氧基嘧啶-4-羧酸甲酯 在 水 、 sodium hydroxide 作用下， 以 甲醇 为溶剂， 以99%的产率得到2-chloro-6-methoxypyrimidine-4-carboxylic acid
  参考文献：
  名称：

  [EN] CD38 MODULATORS AND METHODS OF USE THEREOF
  [FR] MODULATEURS DE CD38 ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  Provided is a compound of formula (I): or a stereoisomer or tautomer thereof, or a pharmaceutically acceptable salt of any of the foregoing, wherein A, B, X1, X2, X3, and X4are as defined herein. Also provided is a pharmaceutically acceptable composition comprising a compound of formula (I), or a stereoisomer or tautomer thereof, or a pharmaceutically acceptable salt of any of the foregoing. Also provided are methods of using a compound of formula (I), or a stereoisomer or tautomer thereof, or a pharmaceutically acceptable salt of any of the foregoing.

  公开号：

  WO2023288195A1

文献信息

• [EN] 3-`(HETERO) ARYLMETHOXY ! PYRIDINES AND THEIR ANALOGUES AS P38 MAP KINASE INHIBITORS<br/>[FR] 3-(HETERO) ARYLMETHOXY PYRIDINES ET LEURS ANALOGUES EN TANT QU'INHIBITEURS DE LA P38 MAP KINASE
  申请人：ASTEX TECHNOLOGY LTD

  公开号：WO2004004720A1

  公开（公告）日：2004-01-15

  Compounds of the formula (I), wherein: -X=Y- is selected from -CR2=CR3- and -CR2=N-; R1 is selected from H, halo, NRR', NHC(=O)R, NHC(=O)NRR', NH2SO2R, and C(=O)NRR'; R2 and R3 (where present) are independently selected from H, optionally substituted C1-7 alkyl, optionally substituted C5-20 aryl, optionally substituted C3-20 heterocyclyl, halo, amino, amido, hydroxy, ether, thio, thioether, acylamido, ureido and sulfonamino; R4 is an optionally substituted C5-20 aryl or C5-20 heteroaryl group; and R5 is selected from R5’, halo, NHR5’, C(=O)NHR5’, OR5’, SR5’, NHC(=O)R5’, NHC(=O)NHR5’, NHS(=O)R5’, wherein R5’ is H or C1-3 alkyl (optionally substituted by halo, NH2, OH, SH) are disclosed for use in therapy and for treating diseases ameliorated by inhibiting p38 MAP kinase.

  化合物的结构式（I），其中：-X=Y-选自-CR2=CR3-和-CR2=N-；R1选自H、卤素、NRR'、NHC（=O）R、NHC（=O）NRR'、NH2SO2R和C（=O）NRR'；R2和R3（如存在）独立选自H、可选择取代的C1-7烷基、可选择取代的C5-20芳基、可选择取代的C3-20杂环烷基、卤素、氨基、酰胺基、羟基、醚基、硫醚基、酰胺基、脲基和磺胺基；R4是可选择取代的C5-20芳基或C5-20杂芳基；R5选自R5'、卤素、NHR5'、C（=O）NHR5'、OR5'、SR5'、NHC（=O）R5'、NHC（=O）NHR5'、NHS（=O）R5'，其中R5'为H或C1-3烷基（可选择由卤素、NH2、OH、SH取代）用于治疗和治疗通过抑制p38 MAP激酶改善的疾病。
• OXAZOLINE DERIVATIVES
  申请人：Galley Guido

  公开号：US20110112080A1

  公开（公告）日：2011-05-12

  The invention relates to compounds of formula I wherein the definitions of X, R and R 1 are as defined herein. The compounds of formula I have a good affinity to the trace amine associated receptors (TAARs), especially for TAAR1. The compounds can be used for the treatment of depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder (ADHD), stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders such as Alzheimer's disease, epilepsy, migraine, hypertension, substance abuse and metabolic disorders such as eating disorders, diabetes, diabetic complications, obesity, dyslipidemia, disorders of energy consumption and assimilation, disorders and malfunction of body temperature homeostasis, disorders of sleep and circadian rhythm, and cardiovascular disorders.

  该发明涉及公式I中的化合物，其中X、R和R1的定义如本文所述。公式I中的化合物对痕量胺相关受体（TAARs）有良好的亲和力，特别是对TAAR1。这些化合物可用于治疗抑郁症、焦虑障碍、躁郁症、注意力缺陷多动障碍（ADHD）、与压力相关的障碍、精神分裂症等精神障碍、帕金森病等神经疾病、阿尔茨海默病等神经退行性疾病、癫痫、偏头痛、高血压、物质滥用和代谢性障碍，如进食障碍、糖尿病、糖尿病并发症、肥胖、血脂异常、能量消耗和吸收障碍、体温稳态障碍、睡眠和昼夜节律障碍以及心血管疾病。
• [EN] RAF KINASE INHIBITORS<br/>[FR] INHIBITEURS DE RAF KINASE
  申请人：ASTEX TECHNOLOGY LTD

  公开号：WO2005002673A1

  公开（公告）日：2005-01-13

  The use of a compound of the formula I or a pharmaceutically acceptable salt or solvate thereof, for the manufacture of a medicament for use in the treatment of a condition ameliorated by the inhibition of raf kinase, wherein: -X=Y- is selected from -CR2=CR3- and -CR2=N-; R1 is selected from H, halo, NRR', NHC (=O)R, NHC (=O)NRR', NH2SO2R, and C (=O)NRR', where R and R' are independently selected from H and C1-4 alkyl, and are optionally substituted by OH, NH2, SO2-NH2, C5-20 carboaryl, C5-20 heteroaryl and C3-20 heterocyclyl, or may together form, with the nitrogen atom to which they are attached, an optionally substituted nitrogen containing C5-7 heterocyclyl group; R2 and R3 (where present) are independently selected from H, optionally substituted C1-7 alkyl, optionally substituted C5-20 aryl, optionally substituted C3-20 heterocyclyl, halo, amino, amido, hydroxy, ether, thio, thioether, acylamido, ureido and sulfonamino; R4 an optionally substituted C5-20 carboaryl or C5-20 heteroaryl group; and R5 is selected from R5', halo, NHR5', C(=O)NHR5', OR5', SR5', NHC (=O)R5', NHC (=O)NHR5', NHS (=O) 2R5', wherein R5' is H or C1-3 alkyl (optionally substituted by halo, NH2, OH, SH).

  使用公式I的化合物或其药学上可接受的盐或溶剂制造药物，用于治疗通过抑制Raf激酶改善的疾病，其中：-X=Y-选择自-CR2=CR3-和-CR2=N-；R1选择自H、卤素、NRR'、NHC(=O)R、NHC(=O)NRR'、NH2SO2R和C(=O)NRR'，其中R和R'独立选择自H和C1-4烷基，可选择性地被OH、NH2、SO2-NH2、C5-20碳基芳基、C5-20杂环芳基和C3-20杂环基取代，或者与它们附着的氮原子一起形成一个可选择性地被取代的含氮C5-7杂环基；R2和R3（存在时）独立选择自H、可选择性地被取代的C1-7烷基、可选择性地被取代的C5-20芳基、可选择性地被取代的C3-20杂环基、卤素、氨基、酰胺、羟基、醚、硫、硫醚、酰胺基、脲基和磺酰氨基；R4为可选择性地被取代的C5-20碳基芳基或C5-20杂环芳基；R5选择自R5'、卤素、NHR5'、C(=O)NHR5'、OR5'、SR5'、NHC(=O)R5'、NHC(=O)NHR5'和NHS(=O)2R5'，其中R5'为H或C1-3烷基（可选择性地被卤素、NH2、OH、SH取代）。
• 3-Hetero arylmethoxy ! pyridines and their analogues as p38 map kinase inhibitors
  申请人：Murray William Christopher

  公开号：US20060063782A1

  公开（公告）日：2006-03-23

  Compounds of the formula (I), wherein: —X═Y— is selected from —CR<2>=CR<3>— and —CR<2>═N—; R<1> is selected from H, halo, NRR′, NHC(═O)R, NHC(═O)NRR′, NH2SO2R, and C(═O)NRR′; R<2> and R<3> (where present) are independently selected from H, optionally substituted C1-7 alkyl, optionally substituted C5-20 aryl, optionally substituted C3-20 heterocyclyl, halo, amino, amido, hydroxy, ether, thio, thioether, acylamido, ureido and sulfonamino; R<4> is an optionally substituted C5-20 aryl or C5-20 heteroaryl group; and R<5> is selected from R<5′>, halo, NHR<5′>, C(═O)NHR<5′>, OR<5′>, SR<5′>, NHC(═O)R<5′>, NHC(═O)NHR<5′>, NHS(═O)R<5′>, wherein R<5′> is H or C1-3 alkyl (optionally substituted by halo, NH2, OH, SH) are disclosed for use in therapy and for treating diseases ameliorated by inhibiting p38 MAP kinase.

  公式（I）的化合物，其中：—X═Y—选自—CR<2>=CR<3>—和—CR<2>═N—；R<1>选自H，卤素，NRR'，NHC(═O)R，NHC(═O)NRR'，NH2SO2R和C(═O)NRR'；R<2>和R<3>（如存在）独立地选自H，可选取代的C1-7烷基，可选取代的C5-20芳基，可选取代的C3-20杂环基，卤素，氨基，酰胺，羟基，醚，硫醚，酰胺基，尿素基和磺酰氨基；R<4>为可选取代的C5-20芳基或C5-20杂芳基；R<5>选自R<5'>，卤素，NHR<5'>，C(═O)NHR<5'>，OR<5'>，SR<5'>，NHC(═O)R<5'>，NHC(═O)NHR<5'>，NHS(═O)R<5'>，其中R<5'>为H或C1-3烷基（可选取代为卤素，NH2，OH，SH），用于治疗和治疗通过抑制p38 MAP激酶改善的疾病。
• HETEROCYCLIC COMPOUND
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US20160264536A1

  公开（公告）日：2016-09-15

  The problem of the present invention is to provide a compound having a PDE2A inhibitory action, and useful as a prophylactic or therapeutic drug for schizophrenia, Alzheimer's disease and the like. The present invention relates to a compound represented by the formula (I): wherein each symbol is as described in the DESCRIPTION, or a salt thereof.

  本发明的问题是提供一种具有PDE2A抑制作用的化合物，可用作预防或治疗精神分裂症、阿尔茨海默病等疾病的药物。本发明涉及一种由式（I）表示的化合物：其中每个符号如在说明书中所述，或其盐。