2- (5-methyl-1H-indol-1-yl) acetic acid | 1498800-43-3

• 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: 2- (5-methyl-1H-indol-1-yl) acetic acid
• 英文别名: 2-(5-Methyl-1H-indol-1-yl)acetic acid；2-(5-methylindol-1-yl)acetic acid
• CAS: 1498800-43-3
• 化学式: C₁₁H₁₁NO₂
• mdl: MFCD18364377
• 分子量: 189.214
• InChiKey: ZEFVFNWEWVMCFY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  42.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-甲基-C-苯基硝酮 、 2- (5-methyl-1H-indol-1-yl) acetic acid 在 (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate 、 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 以85 %的产率得到N-methyl-N-(2-(5-methyl-1H-indol-1-yl)-1-phenylethyl) hydroxylamine
  参考文献：
  名称：

  Photoredox-catalyzed cross-coupling of N-indolylacetic acids with nitrones: Access to indole-N-ethylamines

  摘要：

  DOI：

  10.1016/j.tetlet.2023.154712
• 作为产物：
  描述：

  5-甲基吲哚 、 溴乙酸甲酯 在 sodium hydride 作用下， 以 乙腈 、 水 为溶剂， 以50 %的产率得到2- (5-methyl-1H-indol-1-yl) acetic acid
  参考文献：
  名称：

  Photoredox-catalyzed cross-coupling of N-indolylacetic acids with nitrones: Access to indole-N-ethylamines

  摘要：

  DOI：

  10.1016/j.tetlet.2023.154712

文献信息

• 3-Carbamoyl-2-Pyridone Derivative
  申请人：Ishizuka Natsuki

  公开号：US20080103139A1

  公开（公告）日：2008-05-01

  The present invention provides compounds having an agonistic activity to the cannabinoid receptor, which is represented by the formula (I): wherein R 1 is optionally substituted C1-C8 alkyl and the like; R 2 is C1-C6 alkyl; R 3 is C1-C6 alkyl and the like; or R 2 and R 3 taken together with may form an optionally substituted 5 to 10 membered non-aromatic carbon ring; R 4 is hydrogen and the like; G is a group selected from the groups shown by the formula an the like: wherein R 5 is hydrogen and the like; X 1 is a single bond and the like; X 2 is optionally substituted C1-C8 alkylene that may be replaced by one or two groups of —O—, or —N(R 6 )—, wherein R 6 is hydrogen and the like, and the like; X 3 is a single bond and the like; a pharmaceutically acceptable salt or a solvate thereof, and pharmaceutical compositions, atopic dermatitis treating agents, and anti-pruritus agents, especially anti-pruritus agents for oral used and for external application, which each contains the said compound as an active ingredient.

  本发明提供了具有激动大麻素受体的作用的化合物，其由式（I）表示：其中，R1是可选取的取代的C1-C8烷基等；R2是C1-C6烷基；R3是C1-C6烷基等；或R2和R3共同形成可选取代的5至10个成员的非芳香碳环；R4是氢等；G是由式等所示的基团中选取的基团：其中，R5是氢等；X1是单键等；X2是可选取代的C1-C8烷基，可以被一或两个-O-或-N（R6）-的基团替代，其中R6是氢等；X3是单键等；其药学上可接受的盐或其溶剂，以及制药组合物、治疗特应性皮炎的制剂和抗瘙痒剂，特别是口服和外用的抗瘙痒剂，每种制剂均以所述化合物为活性成分。
• Viral Polymerase Inhibitors
  申请人：Beaulieu Pierre Louis

  公开号：US20090087409A1

  公开（公告）日：2009-04-02

  An isomer, enantiomer, diastereoisomer or tautomer of a compound, represented by formula I: wherein: A is O, S, NR 1 , or CR 1 , wherein R 1 is defined herein; represents either a single or a double bond; R 2 is selected from: H, halogen, R 21 , OR 21 , SR 21 , COOR 21 , SO 2 N(R 22 ) 2 , N(R 22 ) 2 , CON(R 22 ) 2 , NR 22 C(O)R 22 or NR 22 C(O)NR 22 wherein R 21 and each R 22 is defined herein; B is NR 3 or CR 3 , with the proviso that one of A or B is either CR 1 or CR 3 , wherein R 3 is defined herein; K is N or CR 4 , wherein R 4 is defined herein; L is N or CR 5 , wherein R 5 has the same definition as R 4 ; M is N or CR 7 , wherein R 7 has the same definition as R 4 ; Y 1 is O or S; Z is N(R 6a )R 6 or OR 6 , wherein R 6a is H or alkyl or NR 61 R 62 wherein R 61 and R 62 are defined herein; and R 6 is H, alkyl, cycloalkyl, alkenyl, Het, alkyl-aryl, alkyl-Het; or R 6 is wherein R 7 and R 8 and Q are as defined herein; Y 2 is O or S; R 9 is H, (C 1-6 alkyl), (C 3-7 )cycloalkyl or (C 1-6 )alkyl-(C 3-7 )cycloalkyl, aryl, Het, (C 1-6 )alkyl-aryl or (C 1-6 )alkyl-Het, all of which optionally substituted with R 90 ; or R 9 is covalently bonded to either of R 7 or R 8 to form a 5- or 6-membered heterocycle; a salt or a derivative thereof, as an inhibitor of HCV NS5B polymerase.

  化合物的同分异构体、对映异构体、非对映异构体或互变异构体，由公式I表示：其中：A为O、S、NR1或CR1，其中R1在此定义；表示单键或双键；R2选自：H、卤素、R21、OR21、SR21、COOR21、SO2N（R22）2、N（R22）2、CON（R22）2、NR22C（O）R22或NR22C（O）NR22，其中R21和每个R22在此定义；B为NR3或CR3，但A或B中的一个为CR1或CR3，其中R3在此定义；K为N或CR4，其中R4在此定义；L为N或CR5，其中R5具有与R4相同的定义；M为N或CR7，其中R7具有与R4相同的定义；Y1为O或S；Z为N（R6a）R6或OR6，其中R6a为H或烷基，或NR61R62，其中R61和R62在此定义；R6为H、烷基、环烷基、烯基、Het、烷基-芳基、烷基-Het；或R6为，其中R7、R8和Q在此定义；Y2为O或S；R9为H、（C1-6）烷基、（C3-7）环烷基或（C1-6）烷基-（C3-7）环烷基、芳基、Het、（C1-6）烷基-芳基或（C1-6）烷基-Het，其中所有这些都可以选择地用R90取代；或R9与R7或R8中的任意一个共价键结合形成5-或6-成员杂环；其盐或衍生物，作为HCV NS5B聚合酶的抑制剂。
• 3-CARBAMOYL-2-PYRIDONE DERIVATIVES
  申请人：ISHIZUKA Natsuki

  公开号：US20120208813A1

  公开（公告）日：2012-08-16

  The present invention provides compounds having an agonistic activity to the cannabinoid receptor, which is represented by the formula (I): wherein R 1 , R 2 , R 3 , R 4 , and G are defined as herein, a pharmaceutically acceptable salt or a solvate thereof, and pharmaceutical compositions, atopic dermatitis treating agents, and anti-pruritus agents, especially anti-pruritus agents for oral used and for external application, which each contains the said compound as an active ingredient.

  本发明提供了具有激动大麻素受体的活性的化合物，该受体由公式（I）表示：其中R1、R2、R3、R4和G如本文所定义，其药学上可接受的盐或溶剂，以及制备该化合物为活性成分的药物组合物、治疗特应性皮炎的药剂和抗瘙痒剂，尤其是用于口服和外用的抗瘙痒剂。
• 3-CARBAMOYL-2-PYRIDONE DERIVATIVE
  申请人：SHIONOGI & CO., LTD.

  公开号：EP1806342A1

  公开（公告）日：2007-07-11

  The present invention provides compounds having an agonistic activity to the cannabinoid receptor, which is represented by the formula (I): wherein R1 is optionally substituted C1-C8 alkyl and the like; R2 is C1-C6 alkyl; R3 is C1-C6 alkyl and the like; or R2 and R3 taken together with may form an optionally substituted 5 to 10 membered non-aromatic carbon ring; R4 is hydrogen and the like; G is a group selected from the groups shown by the formula an the like: wherein R5 is hydrogen and the like; X1 is a single bond and the like; X2 is optionally substituted C1-C8 alkylene that may be replaced by one or two groups of -O-, or -N(R6)-, wherein R6 is hydrogen and the like, and the like; X3 is a single bond and the like; a pharmaceutically acceptable salt or a solvate thereof, and pharmaceutical compositions, atopic dermatitis treating agents, and anti-pruritus agents, especially anti-pruritus agents for oral used and for external application, which each contains the said compound as an active ingredient.

  本发明提供了对大麻素受体具有激动活性的化合物，该受体由式 (I) 表示： 其中 R1 是任选取代的 C1-C8 烷基及类似物；R2 是 C1-C6 烷基；R3 是 C1-C6 烷基及类似物；或 R2 和 R3 一起可形成任选取代的 5 至 10 个成员的非芳香族碳环；R4 是氢及类似物；G 是选自式所示基团及类似物的基团： 其中 R5 是氢和类似物；X1 是单键和类似物；X2 是可被一个或两个基团-O-或-N(R6)-取代的任选取代的 C1-C8 亚烷基，其中 R6 是氢和类似物；X3 是单键和类似物； 其药学上可接受的盐或溶液，以及药物组合物、特应性皮炎治疗剂和止痒剂，尤其是口服和外用的止痒剂，其中每一种都含有上述化合物作为活性成分。
• US7223785B2
  申请人：——

  公开号：US7223785B2

  公开（公告）日：2007-05-29