2-((2,3-dihydro-1H-inden-5-yl)amino)nicotinic acid | 115891-09-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 2-((2,3-dihydro-1H-inden-5-yl)amino)nicotinic acid
• 英文别名: 2-(5-indanamino)-3-pyridine carboxylic acid；3-Pyridinecarboxylic acid, 2-[(2,3-dihydro-1H-inden-5-yl)amino]-；2-(2,3-dihydro-1H-inden-5-ylamino)pyridine-3-carboxylic acid
• CAS: 115891-09-3
• 化学式: C₁₅H₁₄N₂O₂
• mdl: MFCD12015798
• 分子量: 254.288
• InChiKey: DOQPGVLWJRLZIV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  62.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-((2,3-dihydro-1H-inden-5-yl)amino)nicotinic acid 在 叠氮磷酸二苯酯 、 三乙胺 作用下， 以 1,4-二氧六环 为溶剂， 反应 3.0h， 以140 mg的产率得到3-(2,3-dihydro-1H-inden-5-yl)-1H-imidazo[4,5-b]pyridin-2(3H)-one
  参考文献：
  名称：

  WO2019198692A5

  摘要：

  公开号：

  WO2019198692A5
• 作为产物：
  描述：

  2-氯烟酸 、 5-氨基茚旦 在 铜 作用下， 以 xylene 为溶剂， 反应 24.0h， 以68%的产率得到2-((2,3-dihydro-1H-inden-5-yl)amino)nicotinic acid
  参考文献：
  名称：

  Mefetah, Hafid; Brouant, Pierre; Galy, Anne-Marie, Medicinal Chemistry Research, 1995, vol. 5, # 7, p. 522 - 533

  摘要：

  DOI：

文献信息

• Naphthyridine and pyridopyrazine compounds and pharmaceutical usage thereof
  申请人：SCHERING CORPORATION

  公开号：EP0267740A1

  公开（公告）日：1988-05-18

  Certain substituted 1,8-naphthyridines and 1,5,8-azanaphthyridines of formula I are disclosed which are useful for treating allergy or inflammation in mammals. A preferred use is the treatment of chronic obstructive lung disease in mammals. The compounds have the formula wherein X is CH or N;     R¹ represents alkenyl, alkynyl, cycloalkyl, cycloalkenyl, 2-, 3- or 4- pyridinyl, 2-, 4- or 5- pyrimidinyl, 2- or 3- thienyl, 2- or 3-furanyl, alkyl carbonyl, phenyl carbonyl or alkyl, each of which may be substituted with -COOH, hydroxy, halogen, alkoxy phenyl, 2-, 3-, or 4- pyridinyl, 2-, 4- or 5-pyrimidinyl, 2- or 3-thienyl, 2- or 3- furanyl, alkyl carbonyl, phenyl carbonyl, cycloalkyl, formyloxy, alkyl carbonyloxy, or phenyl carbonyloxy;     R² represents hydrogen, hydroxyalkyl, dihydroxyalkyl, hydroxyalkoxyalkyl, a cation, alkenyl having, R aR bN(CH₂) n-(wherein R a and R b are hydrogen or alkyl and n is an integer from 2 to 6), alkynyl or a group of the general formula: where Z = 0 or 1; p is an integer of 0 to 5, R³ and R⁴ are each alkyl or R³ and R⁴ together form a cycloalkyl up to 6 carbon atoms, and M is H or where Y¹, Y² and Y³ represent hydrogen, hydroxy, halogen, alkyl, alkoxy, halogenated alkyl; and     A is 2-, 3- or 4-biphenyl, 1- or 2-naphthylenyl, 4- or 5-indenyl, 4- or 5- indanyl, 2-, 3-, 4-, 5-, 6-, 7-or 8-quinolinyl, 1-, 3-, 4-, 5-, 6-, 7- or 8-isoquinolinyl, 2-, 3- or 4-pyridinyl, 2-, 4- or 5-pyrimidinyl, 2-pyrazinyl, 3- or 4-pyridazinyl, 3-, 5- or 6-(1,2,4-triazinyl), 2- or 3-furanyl, 2- or 3-thienyl, 2-, 3-, 4-, 5-, 6- or 7-benzofuranyl, 3- 4- or 5-pyrazolyl, 3- or 5-(1,2,4-triazolyl) each of which may be substituted with one or more of hydroxy, alkyl, halogen, nitro, alkoxy, trifluoromethyl or cyano.

  公开了一些具有以下式I的1,8-萘啶和1,5,8-氮杂萘啶的替代物，这些替代物对于治疗哺乳动物的过敏或炎症很有用。首选用途是治疗哺乳动物慢性阻塞性肺病。这些化合物具有以下式，其中X为CH或N；R¹代表烯基、炔基、环烷基、环烯基、2-、3-或4-吡啶基、2-、4-或5-嘧啶基、2-或3-噻吩基、2-或3-呋喃基、烷基羰基、苯基羰基或烷基，每个基可能被取代为-COOH、羟基、卤素、烷氧基苯基、2-、3-或4-吡啶基、2-、4-或5-嘧啶基、2-或3-噻吩基、2-或3-呋喃基、烷基羰基、苯基羰基、环烷基、甲酰氧基、烷基羰氧基或苯基羰氧基；R²代表氢、羟基烷基、二羟基烷基、羟基烷氧基烷基、阳离子、具有的烯基，R aR bN(CH₂) n-（其中R a和R b为氢或烷基，n为2至6的整数）、炔基或具有以下一般式的基团：其中Z = 0或1；p为0至5的整数，R³和R⁴分别为烷基或R³和R⁴一起形成含有最多6个碳原子的环烷基，M为H或其中Y¹、Y²和Y³代表氢、羟基、卤素、烷基、烷氧基、卤代烷基；A为2-、3-或4-联苯基、1-或2-萘基、4-或5-茚基、4-或5-茚基、2-、3-、4-、5-、6-、7-或8-喹啉基、1-、3-、4-、5-、6-、7-或8-异喹啉基、2-、3-或4-吡啶基、2-、4-或5-嘧啶基、2-吡啶基、3-或4-吡啶基、3-、5-或6-（1,2,4-三唑基）、2-或3-呋喃基、2-或3-噻吩基、2-、3-、4-、5-、6-或7-苯并呋喃基、3-、4-或5-吡唑基、3-或5-（1,2,4-三唑基）其中每个基可能被一个或多个羟基、烷基、卤素、硝基、烷氧基、三氟甲基或氰基取代。
• Antiallergy agents. 1. Substituted 1,8-naphthyridin-2(1H)-ones as inhibitors of SRS-A release
  作者：Margaret H. Sherlock、James J. Kaminski、Wing C. Tom、Joe F. Lee、Shing Chun Wong、William Kreutner、Robert W. Bryant、Andrew T. McPhail

  DOI：10.1021/jm00119a010

  日期：1988.11

  A novel class of antiallergy agents, the substituted 1,8-naphthyridin-2(1H)-ones, is described. The present compounds are orally active, potent inhibitors of allergic and nonallergic bronchospasm in animal models. Structure-activity studies of the lead compound in this series, 1-phenyl-3-n-butyl-4-hydroxynaphthyridin-2(1H)-one (11), identified three compounds of interest, 1-phenyl-3-(2-propenyl)-4-acetoxy-1,8-naphthyridin-2(1H)-one (12), 1-(3'-chlorophenyl)-3-(2-propenyl)-4-acetoxy-1,8-naphthyridin-2(1H )-one (87), and 1-(3'-methoxyphenyl)-3-(2-propenyl)-4-acetoxy-1,8-naphthyridin-2(1 H)-one (89). The mechanism of antiallergy activity may involve inhibition of the release of the sulfidopeptide leukotrienes. 1-Phenyl-3-(2-propenyl)-4-acetoxy-1,8-naphthyridin-2(1H)-one, Sch 33303 (12), was selected for preclinical development as an antiallergy agent.
• SHERLOCK, MARGARET H.;KAMINSKI, JAMES J.;TOM, WING C.;LEE, JOE F.;WONG, S+, J. MED. CHEM., 31,(1988) N 11, C. 2108-2121
  作者：SHERLOCK, MARGARET H.、KAMINSKI, JAMES J.、TOM, WING C.、LEE, JOE F.、WONG, S+

  DOI：——

  日期：——
• FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST
  申请人：RaQualia Pharma Inc.

  公开号：EP3774739B1

  公开（公告）日：2022-05-11
• [EN] FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST<br/>[FR] DÉRIVÉS D'URÉE CYCLIQUE FUSIONNÉS UTILISÉS COMME ANTAGONISTES DE CRHR2
  申请人：RAQUALIA PHARMA INC

  公开号：WO2019198692A1

  公开（公告）日：2019-10-17

  The present invention relates to fused cyclic urea derivatives which have antagonistic activities against CRHR1 and/or CRHR2, and which are useful in the treatment or prevention of disorders and diseases in which CRHR1 and/or CRHR2 is involved. The invention also relates to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which CRHR1 and/or CRHR2 is involved.