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GSK106 hydrochloride , CAS No.1652591-82-6
Basic Description
Synonyms
EX-A4717 | MS-27851 | (3-aminopiperidin-1-yl)-[2-(1-ethylindol-2-yl)-3-methylbenzimidazol-5-yl]methanone;hydrochloride | (3-Amino-1-piperidinyl)[2-(1-ethyl-1H-indol-2-yl)-1-methyl-1H-benzimidazol-6-yl]-methanoneHydrochloride | GSK106 hydrochloride | (3-Am
Biochemical and Physiological Mechanisms
GSK106 is a negative control compound that can be used in binding and functional assays for PAD4 inhibitors.
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Information
GSK106 is a negative control compound that can be used in binding and functional assays for PAD4 inhibitors.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
N-acylpiperidines
Intermediate Tree Nodes
Not available
Direct Parent
N-benzoylpiperidines
Alternative Parents
N-alkylindoles Benzimidazoles Indoles Aminopiperidines N-substituted imidazoles Benzenoids Substituted pyrroles Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-benzoylpiperidine - N-alkylindole - Indole or derivatives - Benzimidazole - Indole - 3-aminopiperidine - N-substituted imidazole - Substituted pyrrole - Benzenoid - Tertiary carboxylic acid amide - Azole - Pyrrole - Imidazole - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Azacycle - Amine - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-benzoylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
(3-aminopiperidin-1-yl)-[2-(1-ethylindol-2-yl)-3-methylbenzimidazol-5-yl]methanone;hydrochloride
INCHI
InChI=1S/C24H27N5O.ClH/c1-3-29-20-9-5-4-7-16(20)13-22(29)23-26-19-11-10-17(14-21(19)27(23)2)24(30)28-12-6-8-18(25)15-28;/h4-5,7,9-11,13-14,18H,3,6,8,12,15,25H2,1-2H3;1H
InChIKey
VRPFLFUQMWOJAT-UHFFFAOYSA-N
Smiles
CCN1C2=CC=CC=C2C=C1C3=NC4=C(N3C)C=C(C=C4)C(=O)N5CCCC(C5)N.Cl
Isomeric SMILES
CCN1C2=CC=CC=C2C=C1C3=NC4=C(N3C)C=C(C=C4)C(=O)N5CCCC(C5)N.Cl
PubChem CID
86340171
Molecular Weight
437.97
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
438.000 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
437.198 Da
Monoisotopic Mass
437.198 Da
Topological Polar Surface Area
69.100 Ų
Heavy Atom Count
31
Formal Charge
0
Complexity
629.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
2
Citations of This Product
1.
Wenyu Lu, Hongzhen Cai, Wenbin Zhang, Zhiqiang Qi, Keyan Yang, Xiangsheng Han.
(2024)
Aramid nanofibers/biochar nanosheets co-assembled composites for wastewater remediation under harsh environments. INDUSTRIAL CROPS AND PRODUCTS,
207
(117759).
2.
Lina Zhang, Xiaomin Huo, Jin Zhu, Changbin Liu, Lianfeng Wang.
(2023)
Residual Chlorella-Based Cellulose Nanofibers and Their Quaternization Modification and Efficient Anionic Dye Adsorption. Materials,
16
(10):
(3642).
3.
Ni Xi, Li Qiang, Yang Kun, Deng Huiyuan, Xia Dongsheng.
(2023)
Efficient degradation of Congo red by persulfate activated with different particle sizes of zero-valent copper: performance and mechanism. ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH,
30
(27):
(70054-70064).
4.
Jin Wen, Xiaoke Li, He Zhang, Size Zheng, Caini Yi, Liu Yang, Jinwen Shi.
(2023)
Architecting Janus hydrogel evaporator with polydopamine-TiO2 photocatalyst for high-efficient solar desalination and purification. SEPARATION AND PURIFICATION TECHNOLOGY,
304
(122403).
5.
Mingfa Sun, Hongchao Jiao, Xiaojuan Wang, Haifang Li, Yunlei Zhou, Jingpeng Zhao, Hai Lin.
(2022)
The regulating pathway of creatine on muscular protein metabolism depends on the energy state. AMERICAN JOURNAL OF PHYSIOLOGY-CELL PHYSIOLOGY,
322
(5):
(C1022-C1035).
6.
Zhiying Li, Congshu Li, Huiyun Yan.
(2021)
A highly sensitive and selective on–off fluorescent sensor based on a complex of polySchiff-Fe2+ for Cr(VI) detection in an aqueous medium. RSC Advances,
11
(15):
(8963-8969).
7.
Jing Guo, Hongfei Bao, Yanqiu Zhang, Xi Shen, Jang-Kyo Kim, Jun Ma, Lu Shao.
(2021)
Unravelling intercalation-regulated nanoconfinement for durably ultrafast sieving graphene oxide membranes. JOURNAL OF MEMBRANE SCIENCE,
619
(118791).
8.
Yang Mei, Sun Runjun, Feng Yan, Wang Honghong, Dou Hao, Liu Chengkun.
(2019)
Preparation, characterization and kinetics study of chitosan/PVA electrospun nanofiber membranes for the adsorption of dye from water. JOURNAL OF POLYMER ENGINEERING,
39
(5):
(459-471).
9.
Jian Rong, Tao Zhang, Fengxian Qiu, Yao Zhu.
(2017)
Preparation of Efficient, Stable, and Reusable Laccase–Cu3(PO4)2 Hybrid Microspheres Based on Copper Foil for Decoloration of Congo Red. ACS Sustainable Chemistry & Engineering,
5
(5):
(4468–4477).
10.
Liu Xiaojing, Liang Miao, Liu Mingyue, Su Rongxin, Wang Mengfan, Qi Wei, He Zhimin.
(2016)
Highly Efficient Catalysis of Azo Dyes Using Recyclable Silver Nanoparticles Immobilized on Tannic Acid-Grafted Eggshell Membrane. Nanoscale Research Letters,
11
(1):
(1-9).
11.
Wan-Ting Lin, Ping Fu, Wan-Long Li, Yuan-Hui Yu, Zi-Lu Zhang, Hong-Yu Fan, Xiao-Jun Huang, Zhi-Kang Xu, Ling-Shu Wan.
(2024)
Cross-linked g-C3N4 nanofibers enable thermal stable composite membranes for high-performance loose nanofiltration. CHEMICAL ENGINEERING JOURNAL,
494
(153197).
12.
Xiaofei Li, Tianfu Li, Xiaohu Jin, Yanfu Wei, Yanping Bao, Qian Yao, Fuhua Li, Weicheng Xu, Xiaolian Wu.
(2024)
Effects of L-Aspartic Acid on Cr(VI) Adsorption onto the Lepidocrocite with Different Exposed Facets: Batch Experiments and In Situ ATR-FTIR Analysis. Processes,
12
(11):
(2598).
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12 Citations