ADB-FUBHQUCA

ADB-FUBHQUCA
	File:ADB-FUBHQUCA structure.png
识别信息
	IUPAC命名法 (S)-N-(1-Amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(4-fluorobenzyl)-1,4-dihydroquinoline-3-carboxamide; ;
PubChem CID	165361603;
E编码	{{#property:P628}}
CompTox Dashboard (EPA)	{{#property:P3117}}Module:EditAtWikidata第29行Lua错误：attempt to index field 'wikibase' (a nil value);
ECHA InfoCard	{{#property:P2566}}Module:EditAtWikidata第29行Lua错误：attempt to index field 'wikibase' (a nil value)
化学信息
化学式	C23H26FN3O2
摩尔质量	395.48 g·mol−1
3D模型（JSmol）	交互式图像;
	SMILES NC(=O)[C@@H](NC(=O)C=1Cc2ccccc2N(C=1)Cc1ccc(F)cc1)C(C)(C)C;
	InChI InChI=1S/C23H26FN3O2/c1-23(2,3)20(21(25)28)26-22(29)17-12-16-6-4-5-7-19(16)27(14-17)13-15-8-10-18(24)11-9-15/h4-11,14,20H,12-13H2,1-3H3,(H2,25,28)(H,26,29); Key:WEFDGWANUSMUJL-UHFFFAOYSA-N;

ADB-FUBHQUCA是一种含氮有机氟化合物，分子式C
23H
26FN
3O
2，能作为大麻素受体的激动剂^[1]，结构上与ADB-FUBICA类似，不过吲哚基团替换为了1,4-二氢喹啉基团^[2]^[3]。

参考文献[编辑]

^ New Substance Report. 118. ADB-FUBHQUCA. AIPSIN monitoring. 18 February 2022 （русский）.
^ Pasquini S, De Rosa M, Pedani V, Mugnaini C, Guida F, Luongo L, et al. Investigations on the 4-quinolone-3-carboxylic acid motif. 4. Identification of new potent and selective ligands for the cannabinoid type 2 receptor with diverse substitution patterns and antihyperalgesic effects in mice. Journal of Medicinal Chemistry. August 2011, 54 (15): 5444–5453. PMID 21702498. doi:10.1021/jm200476p.
^ Pasquini S, De Rosa M, Ligresti A, Mugnaini C, Brizzi A, Caradonna NP, et al. Investigations on the 4-quinolone-3-carboxylic acid motif. 6. Synthesis and pharmacological evaluation of 7-substituted quinolone-3-carboxamide derivatives as high affinity ligands for cannabinoid receptors. European Journal of Medicinal Chemistry. December 2012, 58: 30–43. PMID 23085772. doi:10.1016/j.ejmech.2012.09.035.

识别信息
File:ADB-FUBHQUCA structure.png
IUPAC命名法 (S)-N-(1-Amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(4-fluorobenzyl)-1,4-dihydroquinoline-3-carboxamide
PubChem CID	165361603
E编码	{{#property:P628}}
CompTox Dashboard (EPA)	{{#property:P3117}}Module:EditAtWikidata第29行Lua错误：attempt to index field 'wikibase' (a nil value)
ECHA InfoCard	{{#property:P2566}}Module:EditAtWikidata第29行Lua错误：attempt to index field 'wikibase' (a nil value)
化学信息
化学式	C₂₃H₂₆FN₃O₂
摩尔质量	395.48 g·mol⁻¹
3D模型（JSmol）	交互式图像
SMILES NC(=O)[C@@H](NC(=O)C=1Cc2ccccc2N(C=1)Cc1ccc(F)cc1)C(C)(C)C
InChI InChI=1S/C23H26FN3O2/c1-23(2,3)20(21(25)28)26-22(29)17-12-16-6-4-5-7-19(16)27(14-17)13-15-8-10-18(24)11-9-15/h4-11,14,20H,12-13H2,1-3H3,(H2,25,28)(H,26,29) Key:WEFDGWANUSMUJL-UHFFFAOYSA-N