3-ethylpyrrole-2-carboxylic acid | 89776-56-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 3-ethylpyrrole-2-carboxylic acid
• 英文别名: 3-Aethyl-pyrrol-2-carbonsaeure；3-ethyl-1H-pyrrole-2-carboxylic acid
• CAS: 89776-56-7
• 化学式: C₇H₉NO₂
• mdl: MFCD19219037
• 分子量: 139.154
• InChiKey: HAJJWEJJQVKQMZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.285
• 拓扑面积：
  53.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-ethyl-pyrrole-2,3,5-tricarboxylic acid-3,5-diethyl ester 在 氢氧化钾 、 sodium hydroxide 、 硫酸 、 溴 、 镍 、 C.I.酸性橙108 、 溶剂黄146 作用下， 生成 3-ethylpyrrole-2-carboxylic acid
  参考文献：
  名称：

  Nicolaus; Nicoletti, Annali di Chimica, 1957, vol. 47, p. 167,172

  摘要：

  DOI：

文献信息

• [EN] PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS<br/>[FR] PYRROLOTRIAZINES EN TANT QU'INHIBITEURS D'ALK ET DE JAK2
  申请人：CEPHALON INC

  公开号：WO2010071885A1

  公开（公告）日：2010-06-24

  The present invention provides a compound of formula (I) or a salt form thereof, wherein Q1, Q2, Q3, and Q4 are as defined herein. The compound of formula (I) has ALK and/or JAK2 inhibitory activity, and may be used to treat proliferative disorders.

  本发明提供了一种式（I）的化合物或其盐形式，其中Q1、Q2、Q3和Q4如本文所定义。式（I）的化合物具有ALK和/或JAK2抑制活性，并可用于治疗增殖性疾病。
• Pyrrole and pyrazole DAAO inhibitors
  申请人：Fang Kevin Q.

  公开号：US20050143443A1

  公开（公告）日：2005-06-30

  Methods for increasing D-Serine concentration and reducing concentration of the toxic products of D-Serine oxidation, for enhancing learning, memory and/or cognition, or for treating schizophrenia, Alzheimer's disease, ataxia or neuropathic pain, or preventing loss in neuronal function characteristic of neurodegenerative diseases involve administering to a subject in need of treatment a therapeutically effective amount of a compound of formula I, or a pharmaceutically acceptable salt or solvate thereof: wherein R 1 and R 2 are independently selected from hydrogen, halo, nitro, alkyl, acyl, alkylaryl, and XYR 5 ; or R 1 and R 2 , taken together, form a 5, 6, 7 or 8-membered substituted or unsubstituted carbocyclic or heterocyclic group; X and Y are independently selected from O, S, NH, and (CR 6 R 7 ) n ; R 3 is hydrogen, alkyl or M + ; M is aluminum, calcium, lithium, magnesium, potassium, sodium, zinc ion or a mixture thereof; Z is N or CR 4 ; R 4 is from selected from hydrogen, halo, nitro, alkyl, alkylaryl, and XYR 5 ; R 5 is selected from aryl, substituted aryl, heteroaryl and substituted heteroaryl; R 6 and R 7 are independently selected from hydrogen and alkyl; n is an integer from 1 to 6; at least one of R 1 , R 2 and R 4 is other than hydrogen; and at least one of X and Y is (CR 6 R 7 ) n . D-serine or cycloserine may be coadministered along with the compound of formula I.

  增加D-丝氨酸浓度和减少D-丝氨酸氧化的有毒产物浓度的方法，用于增强学习、记忆和/或认知能力，或用于治疗精神分裂症、阿尔茨海默病、共济失调或神经病性疼痛，或预防神经元功能丧失，这涉及向需要治疗的受试者施用化合物I的治疗有效量，或其药学上可接受的盐或溶剂：其中R1和R2独立地选自氢、卤素、硝基、烷基、酰基、烷基芳基和XYR5；或R1和R2共同形成一个5、6、7或8-成员的取代或未取代的碳环或杂环基团；X和Y独立地选自O、S、NH和(CR6R7)n；R3为氢、烷基或M+；M为铝、钙、锂、镁、钾、钠、锌离子或其混合物；Z为N或CR4；R4选自氢、卤素、硝基、烷基、烷基芳基和XYR5；R5选自芳基、取代芳基、杂环芳基和取代杂环芳基；R6和R7独立地选自氢和烷基；n为1到6的整数；R1、R2和R4中至少有一个不是氢；X和Y中至少有一个是(CR6R7)n。 D-丝氨酸或环丝氨酸可以与化合物I的共同给药。
• Differential reactivity of β-amino enones and 3-dimethylaminoacrylaldehyde towards α-amino derivatives
  作者：Angel Alberola、José M. Andrés、Alfonso González、Rafael Pedrosa、Martina Vicente

  DOI：10.1039/p19900002681

  日期：——

  Unsubstituted β-amino enones react with α-amino derivatives by a well established route which implies a fast transamination process — 1,4-addition followed by elimination — and cyclodehydration of the intermediate to 3-functionalized pyrroles. In contrast, 3-dimethylaminoacrylaldehyde undergoes 1,2-addition followed by cyclization to give the final 2-substituted pyrroles. Isolation of the intermediates

  未取代的β-氨基烯酮通过一种完善的途径与α-氨基衍生物反应，这意味着快速的氨基转移过程-1,4-加成，然后消除-并将中间体环脱水为3-官能化的吡咯。相反，使3-二甲基氨基丙烯醛进行1，2-加成，然后环化，得到最终的2-取代的吡咯。中间体的分离为每种反应提供了建议的机理。
• CXCR1 and CXCR2 chemokine antagonists
  申请人：Chao Jianhua

  公开号：US20060014794A1

  公开（公告）日：2006-01-19

  The present invention is directed to a compound having the general structure of formula (1): useful for the treatment, prevention or amelioration of a CXCR1 or CXCR2 chemokine-mediated disease.

  本发明涉及一种具有通式（1）的一般结构化合物，用于治疗、预防或改善CXCR1或CXCR2趋化因子介导的疾病。
• CXCR1 AND CXCR2 CHEMOKINE ANTAGONISTS
  申请人：Chao Jianhua

  公开号：US20070248594A1

  公开（公告）日：2007-10-25

  The present invention is directed to a compound having the general structure of formula (1): useful for the treatment, prevention or amelioration of a CXCR1 or CXCR2 chemokine-mediated disease.

  本发明涉及具有通式（1）的化合物：用于治疗、预防或改善CXCR1或CXCR2趋化因子介导的疾病。