5-(2-oxopropoxy)-1H-indole-2-carboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 5-(2-oxopropoxy)-1H-indole-2-carboxylic acid
• 化学式: C₁₂H₁₁NO₄
• 分子量: 233.22
• InChiKey: VFTWRUCFSHUQJH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  79.4
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• [EN] ANTIINFLAMMATORY AND ANTITUMOR 2-OXOTHIAZOLES AND 2-OXOTHIOPHENES COMPOUNDS<br/>[FR] COMPOSÉS 2-OXOTHIAZOLES ET 2-OXOTHIOPHÈNES ANTI-INFLAMMATOIRES ET ANTITUMORAUX
  申请人：AVEXXIN AS

  公开号：WO2014118195A1

  公开（公告）日：2014-08-07

  A compound of formula (I) wherein X is O, C O or S; Y is N or CH; R2 and R4 are each independently H, -(CH2)pCOOH, -(CH2)pCON(R5)2 or - (CH2)pCOOC 1-6alkyI; or R2 and R4 together form a 6-membered phenyl ring fused to the five membered ring; each R1 is independently selected from H, halo (e.g. fluoro or chloro), C6-10aryl, C7-12arylalkyl, C2-12alkenyl; OC1-2 alkyl, OC2-12 aikenyl or a C1-12 alkyl group; each R5 is H or C1-6 alkyl; each p is 0 to 3; n is 1 to 4; or a salt, ester, solvate, N-oxide, or prodrug thereof, e.g. a salt thereof.

  式（I）的化合物，其中X为O、CO或S；Y为N或CH；R2和R4分别独立地为H、-(CH2)pCOOH、-(CH2)pCON(R5)2或-(CH2)pCOOC 1-6alkyI；或R2和R4一起形成与五元环融合的六元苯环；每个R1独立地选自H、卤素（例如氟或氯）、C6-10芳基、C7-12芳基烷基、C2-12烯基；OC1-2烷基、OC2-12烯基或C1-12烷基基团；每个R5为H或C1-6烷基；每个p为0至3；n为1至4；或其盐、酯、溶剂化合物、N-氧化物或前药，例如其盐。
• ANTIIFLAMMATORY AND ANTITUMOR 2-OXOTHIAZOLES ABD 2-OXOTHIOPHENES COMPOUNDS
  申请人：AVEXXIN AS

  公开号：US20150376161A1

  公开（公告）日：2015-12-31

  A compound of formula (I) wherein X is O, C═O or S; Y is N or CH; R 2 and R 4 are each independently H, —(CH 2 ) p COOH, —(CH 2 ) p CON(R 5 ) 2 or —(CH 2 ) p COOC 1-6 alkyl; or R 2 and R 4 together form a 6-membered phenyl ring fused to the five membered ring; each R 1 is independently selected from H, halo (e.g. fluoro or chloro), C 6-10 aryl, C 7-12 arylalkyl, C 2-12 alkenyl; OC 1-12 alkyl, OC 2-12 alkenyl or a C 1-12 alkyl group; each R 5 is H or C 1-6 alkyl; each p is 0 to 3; n is 1 to 4; or a salt, ester, solvate, N-oxide, or prodrug thereof, e.g. a salt thereof

  化合物的式子(I)，其中X是O，C═O或S;Y是N或CH;R2和R4各自独立地为H，—(CH2)pCOOH，—(CH2)pCON(R5)2或—(CH2)pCOOC1-6烷基;或者R2和R4共同形成一个6成员苯环融合到五成员环上;每个R1独立地选自H，卤素（例如氟或氯），C6-10芳基，C7-12芳基烷基，C2-12烯丙基;OC1-12烷基，OC2-12烯丙基或C1-12烷基;每个R5是H或C1-6烷基;每个p为0到3;n为1到4;或其盐，酯，溶剂化物，N-氧化物或前药，例如其盐。
• Anti-inflammatory and antitumor 2-oxothiazoles ABD 2-oxothiophenes compounds
  申请人：Avexxin AS

  公开号：US10259801B2

  公开（公告）日：2019-04-16

  A compound of formula (I) wherein X is O, C═O or S; Y is N or CH; R2 and R4 are each independently H, —(CH2)pCOOH, —(CH2)pCON(R5)2 or —(CH2)pCOOC1-6alkyl; or R2 and R4 together form a 6-membered phenyl ring fused to the five membered ring; each R1 is independently selected from H, halo (e.g. fluoro or chloro), C6-10aryl, C7-12arylalkyl, C2-12 alkenyl; OC1-12 alkyl, OC2-12 alkenyl or a C1-12 alkyl group; each R5 is H or C1-6 alkyl; each p is 0 to 3; n is 1 to 4; or a salt, ester, solvate, N-oxide, or prodrug thereof, e.g. a salt thereof.

  式 (I) 的化合物 其中 X 是 O、C═O 或 S； Y 是 N 或 CH； R2 和 R4 各自独立地为 H、-(CH2)pCOOH、-(CH2)pCON(R5)2 或 -(CH2)pCOOC1-6烷基；或 R2 和 R4 共同形成与五元环融合的六元苯基环； 每个 R1 独立选自 H、卤代物（如氟或氯）、C6-10 芳基、C7-12 芳烷基、C2-12 烯基、OC1-12 烷基、OC2-12 烯基或 C1-12 烷基； 每个 R5 是 H 或 C1-6 烷基 每个 p 是 0 至 3 n 为 1 至 4； 或其盐、酯、溶液、N-氧化物或原药，例如其盐。
• Anti-inflammatory and antitumor 2-oxothiazoles and 2-oxothiophenes compounds
  申请人：Avexxin AS

  公开号：US11034666B2

  公开（公告）日：2021-06-15

  A compound of formula (I) wherein X is O, C═O or S; Y is N or CH; R2 and R4 are each independently H, —(CH2)pCOOH, —(CH2)pCON(R5)2 or —(CH2)pCOOC1-6alkyl; or R2 and R4 together form a 6-membered phenyl ring fused to the five membered ring; each R1 is independently selected from H, halo (e.g. fluoro or chloro), C6-10aryl, C7-12arylalkyl, C2-12 alkenyl; OC1-12 alkyl, OC2-12 alkenyl or a C1-12 alkyl group; each R5 is H or C1-6 alkyl; each p is 0 to 3; n is 1 to 4; or a salt, ester, solvate, N-oxide, or prodrug thereof, e.g. a salt thereof.

  式 (I) 的化合物 其中 X 是 O、C═O 或 S； Y 是 N 或 CH； R2 和 R4 各自独立地为 H、-(CH2)pCOOH、-(CH2)pCON(R5)2 或 -(CH2)pCOOC1-6烷基；或 R2 和 R4 共同形成与五元环融合的六元苯基环； 每个 R1 独立选自 H、卤代物（如氟或氯）、C6-10 芳基、C7-12 芳烷基、C2-12 烯基、OC1-12 烷基、OC2-12 烯基或 C1-12 烷基； 每个 R5 是 H 或 C1-6 烷基 每个 p 是 0 至 3 n 为 1 至 4； 或其盐、酯、溶液、N-氧化物或原药，例如其盐。
• ANTIINFLAMMATORY AND ANTITUMOR 2-OXOTHIAZOLES AND 2-OXOTHIOPHENES COMPOUNDS
  申请人：Avexxin AS

  公开号：EP2951164A1

  公开（公告）日：2015-12-09