Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
product description:
A cell-permeable, orally bioavailable, non-toxic thiazolyl-quinolinone derived compound that acts as a potent, selective and reversible inhibitor of CD38 (IC50 = 7.3 & 1.9 nM for human & mouse CD38, respectively; Ki = 0.3 nM for human wt-CD38). Shown to bind to the catalytic active site. Displays attractive PK properties in mice (p.o. 30 mg/kg: t1/2 = 3.5 h, Cmax = 10.8 µg/ml; i.v. 2 mg/kg: t1/2 = 5.3 h, Cmax = 2.98 µg/ml, Cl = 21 ml/min/kg, Vdss = 1.3 L/kg). Rapidly elevates NAD levels by several folds in both liver and gastrocnemius tissue in a diet induced obese mouse (30 mg/kg, p.o.).
| Pubchem Sid | 504772887 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504772887 |
| Sonrisas canónicas | CN1C2=C(C=C(C=C2)C3=CN=CS3)C(=CC1=O)NC4CCC(CC4)OCCOC |
| IUPAC Name | 4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one |
| InChIKey | VJQALSOBHVEJQM-UHFFFAOYSA-N |
| INCHI | 1S/C22H27N3O3S/c1-25-20-8-3-15(21-13-23-14-29-21)11-18(20)19(12-22(25)26)24-16-4-6-17(7-5-16)28-10-9-27-2/h3,8,11-14,16-17,24H,4-7,9-10H2,1-2H3 |
| Isómeros SMILES | CN1C2=C(C=C(C=C2)C3=CN=CS3)C(=CC1=O)NC4CCC(CC4)OCCOC |
| Peso molecular | 413.54 |
| Reaxy-Rn | 37159747 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37159747&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Quinolines and derivatives |
| Subclass | Quinolones and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hydroquinolones |
| Alternative Parents | 4-aminoquinolines Hydroquinolines Secondary alkylarylamines Pyridinones Cyclohexylamines Aminopyridines and derivatives Benzenoids Vinylogous amides Thiazoles Heteroaromatic compounds Lactams Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 4-aminoquinoline - Dihydroquinolone - Aminoquinoline - Dihydroquinoline - Secondary aliphatic/aromatic amine - Pyridinone - Cyclohexylamine - Aminopyridine - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous amide - Thiazole - Azole - Lactam - Azacycle - Secondary amine - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Sep 11, 2024 | C287543 | |
| Certificate of Analysis | Sep 11, 2024 | C287543 | |
| Certificate of Analysis | Sep 11, 2024 | C287543 | |
| Certificate of Analysis | Sep 11, 2024 | C287543 | |
| Certificate of Analysis | Sep 11, 2024 | C287543 |
| Solubilidad | Solvent:DMSO, Max Conc. mg/mL: 41.35, Max Conc. mM: 100 |
|---|---|
| Sensibilidad | Light sensitive |
| Peso molecular | 413.500 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 413.177 Da |
| Monoisotopic Mass | 413.177 Da |
| Topological Polar Surface Area | 91.900 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 594.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Yang Guo, Yi-Hong Bao, Yang-Yang Chai. (2018) Preparation of microcapsule antioxidative wall materials of pine nut oil by the Maillard reaction. JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE, 99 (6): (2793-2801). [PMID:30430591] [10.1002/jsfa.9488] |
| 2. Zhan Gao, Lei Zhu, Xinyao Zou, Chunpeng Liu, Bo Tian, Zhen Huang. (2018) Soot reduction effects of dibutyl ether (DBE) addition to a biodiesel surrogate in laminar coflow diffusion flames. PROCEEDINGS OF THE COMBUSTION INSTITUTE, [PMID:] [10.1016/j.proci.2018.05.083] |
| 3. Kang-Ke Liu, Hao-Ran Liu, Li Wen, Zhou Xu, Li Ding, Yun-Hui Cheng, Mao-Long Chen. (2024) Enhancing storage stability of pea peptides through encapsulation in maltodextrin and gum tragacanth via monitoring scavenge ability to free radicals. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, [PMID:38992543] [10.1016/j.ijbiomac.2024.133736] |