1-甲基-5-噻吩-2-基-1H-吡唑-3-羧酸 | 869901-15-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1-甲基-5-噻吩-2-基-1H-吡唑-3-羧酸
• 英文名称: 1-methyl-5-(thiophen-2-yl)-1H-pyrazole-3-carboxylic acid
• 英文别名: 1-methyl-5-thiophen-2-ylpyrazole-3-carboxylic acid
• CAS: 869901-15-5
• 化学式: C₉H₈N₂O₂S
• 分子量: 208.241
• InChiKey: URCWVEMABYSGJA-UHFFFAOYSA-N

物化性质

• 熔点：
  156 °C

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  83.4
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  1-甲基-5-噻吩-2-基-1H-吡唑-3-羧酸 在 氯化亚砜 作用下， 以 四氯化碳 为溶剂， 反应 2.0h， 生成 1-甲基-5-噻吩-2-基-1H-吡唑-3-羰酰氯
  参考文献：
  名称：

  Design and Evaluation of Bispidine-Based SARS-CoV-2 Main Protease Inhibitors

  摘要：

  DOI：

  10.1021/acsmedchemlett.1c00299
• 作为产物：
  描述：

  2,4-二氧代-4-(2-噻吩)丁酸乙酯 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 生成 1-甲基-5-噻吩-2-基-1H-吡唑-3-羧酸
  参考文献：
  名称：

  Design and Evaluation of Bispidine-Based SARS-CoV-2 Main Protease Inhibitors

  摘要：

  DOI：

  10.1021/acsmedchemlett.1c00299

文献信息

• [EN] 6-AMINO-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL OR 3-AMINOCHROMAN-7-YL DERIVATIVES AS TAAR MODULATORS<br/>[FR] DÉRIVÉS 6-AMINO -5,6,7,8-TÉTRAHYDRONAPHTALÈNE -2-YLE OU 3-AMINOCHROMAN -7-YL COMME MODULATEURS DE TAAR
  申请人：HOFFMANN LA ROCHE

  公开号：WO2016016162A1

  公开（公告）日：2016-02-04

  The present invention relates to a compound of formula (I), wherein L is –C(O)NH-, -NHC(O)-, -S(O)2NH-, -NH- or -NHC(O)NH-; Ar is phenyl, benzyl, naphthyl or heteroaryl, selected from the group consisting of pyridinyl, pyrazolyl, pyrimidinyl, isoxazolyl or pyrazinyl, wherein Ar may be optionally substituted by one, two or three R1; R1 is hydrogen, lower alkyl, lower alkoxy, halogen, cyano, cycloalkyl, NHC(O)-lower alkyl, lower alkoxy substituted by halogen, lower alkyl substituted by halogen, or is phenyl optionally substituted by one or two halogen atoms, CF3O or lower alkyl, or is furanyl, thiazolyl or thiophenyl, optionally substituted by halogen or lower alkyl; X is CH or O; R is hydrogen or halogen; or a pharmaceutically suitable acid addition salt thereof, all racemic mixtures, all their corresponding enantiomers and/or optical isomers, which may be used for the treatment of depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder (ADHD), stress-related disorders, psychotic disorders, schizophrenia, neurological diseases, Parkinson's disease, neurodegenerative disorders, Alzheimer's disease, epilepsy, migraine, hypertension, substance abuse, metabolic disorders, 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.

  本发明涉及一种化合物，其化学式为（I），其中L为-C（O）NH-，-NHC（O）-，-S（O）2NH-，-NH-或-NHC（O）NH-；Ar为苯基，苄基，萘基或杂环基，所述杂环基选自吡啶基，吡唑基，嘧啶基，异噁唑基或吡嗪基，其中Ar可以选择性地由一个、两个或三个R1取代；R1为氢，低碳烷基，低烷氧基，卤素，氰基，环烷基，NHC（O）-低碳烷基，低烷氧基取代的卤素，低碳烷基取代的卤素，或为苯基，可选择性地由一个或两个卤素原子，CF3O或低碳烷基取代，或为呋喃基，噻唑基或噻吩基，可选择性地由卤素或低碳烷基取代；X为CH或O；R为氢或卤素；或其药学上适宜的酸加合物盐，所有的外消旋混合物，其对应的对映体和/或光学异构体，可用于治疗抑郁症，焦虑障碍，双相情感障碍，注意缺陷多动障碍（ADHD），与压力有关的障碍，精神病性障碍，精神分裂症，神经系统疾病，帕金森病，神经退行性疾病，阿尔茨海默病，癫痫，偏头痛，高血压，物质滥用，代谢障碍，进食障碍，糖尿病，糖尿病并发症，肥胖症，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。
• LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY
  申请人：Bittermann Holger

  公开号：US20130131321A1

  公开（公告）日：2013-05-23

  The present invention relates to the use for affinity purification of an antibody or an fragment of an antibody, of a ligand-substituted matrix comprising a support material and at least one ligand covalently bonded to the support material, the ligand being represented by formula (I) wherein Sp is a spacer group; v is 0 or 1; Am is an amide group —NR 1 —C(O)—, and wherein either NR 1 is attached to Ar 1 and —C(O)— is attached to Ar 2 , or —C(O)— is attached to Ar 1 and NR 1 is attached to Ar 2 ; and R 1 is hydrogen or C 1 to C 4 alkyl, preferably hydrogen or methyl; and more preferably hydrogen; Ar 1 is a divalent 5- or 6-membered substituted or unsubstituted aromatic ring; Ar 2 is 5- or 6-membered heterocyclic aromatic ring which is (a) attached to a further 5- or 6-membered aromatic ring via a single bond; or (b) fused to a further 5- or 6-membered aromatic ring as part of a multicyclic ring system; or (c) attached to at least one substituent selected from C 1 to C 4 alkyl; C 2 to C 4 alkenyl; C 2 to C 4 alkynyl; a halogen; C 1 to C 4 haloalkyl; hydroxyl-substituted C 1 to C 4 alkyl; C 1 to C 4 alkoxy; hydroxyl-substituted C 1 to C 4 alkoxy; C 1 to C 4 alkylamino; C 1 to C 4 alkylthio; and combinations thereof.

  本发明涉及使用具有支持材料和至少一种共价键合到支持材料的配体的替代基矩阵，用于亲和纯化抗体或抗体片段，其中该配体由式(I)表示，其中Sp是一个空间基团；v为0或1；Am是一个酰胺基团-NR1-C（O）-，其中NR1连接到Ar1，-C（O）-连接到Ar2，或-C（O）-连接到Ar1，NR1连接到Ar2；R1是氢或C1到C4烷基，优选氢或甲基，更优选氢；Ar1是二价的5-或6-成员取代或未取代芳香环；Ar2是5-或6-成员的杂环芳香环，它(a)通过单键连接到另一个5-或6-成员的芳香环；或（b）作为多环环系统的一部分与另一个5-或6-成员的芳香环融合；或（c）连接到至少一个取代基，所述取代基选择自C1到C4烷基；C2到C4烯基；C2到C4炔基；卤素；C1到C4卤代烷基；羟基取代的C1到C4烷基；C1到C4烷氧基；羟基取代的C1到C4烷氧基；C1到C4烷基氨基；C1到C4烷基硫基；以及其组合。
• 6-AMINO-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL OR 3-AMINOCHROMAN-7-YL DERIVATIVES AS TAAR MODULATORS
  申请人：F. Hoffmann-La Roche AG

  公开号：EP3174853A1

  公开（公告）日：2017-06-07
• 6-AMINO-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL OR 3-AMINOCHROMAN-7-YL DERIVATIVES
  申请人：Hoffmann-La Roche Inc.

  公开号：US20170137416A1

  公开（公告）日：2017-05-18

  The present invention relates to compounds TAAR receptor antagonists of formula I wherein X, R, L, Ar and R 1 are as described herein, compositions containing compounds of formula I, methods of manufacture of compounds of formula I and methods of treating psychiatric disorders with compounds of formula I.
• US9957261B2
  申请人：——

  公开号：US9957261B2

  公开（公告）日：2018-05-01