Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥95% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Cdk1/2 Inhibitor III is a cell-permeable triazolo-diamine compound that displays anti-proliferative properties in various human cancer cells (IC50 = 20 nM, 35 nM and 92 nM in HCT-116, HeLa, and A375 cells, respectively). Cdk1/2 Inhibitor III acts as a highly potent, ATP-competitive inhibitor of Cdk1/cyclin B and Cdk2/cyclin A (IC|50|= 600 pM and 500 pM, respectively) with selectivity over VEGF-R2 (IC|50|= 32 nM), GSK-3b (IC|50|= 140 nM), and a panel of eight other kinases (IC|50|≥ 1 μM)
| Sonrisas canónicas | C1=CC(=C(C(=C1)F)NC(=S)N2C(=NC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N)N)F |
|---|---|
| IUPAC Name | 5-amino-N-(2,6-difluorophenyl)-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carbothioamide |
| InChIKey | ARIOBGGRZJITQX-UHFFFAOYSA-N |
| INCHI | 1S/C15H13F2N7O2S2/c16-10-2-1-3-11(17)12(10)21-15(27)24-13(18)22-14(23-24)20-8-4-6-9(7-5-8)28(19,25)26/h1-7H,(H,21,27)(H2,19,25,26)(H3,18,20,22,23) |
| Isómeros SMILES | C1=CC(=C(C(=C1)F)NC(=S)N2C(=NC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N)N)F |
| Peso molecular | 425.44 |
| Reaxy-Rn | 10206251 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10206251&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 | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzenesulfonamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonamides |
| Alternative Parents | Benzenesulfonyl compounds Aniline and substituted anilines Fluorobenzenes Organosulfonamides Aryl fluorides Triazoles Heteroaromatic compounds Aminosulfonyl compounds Secondary amines Azacyclic compounds Primary amines Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzenesulfonamide - Benzenesulfonyl group - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Organosulfonic acid amide - Azole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - 1,2,4-triazole - Aminosulfonyl compound - Secondary amine - Organoheterocyclic compound - Azacycle - Primary amine - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Amine - Organopnictogen compound - Organic oxide - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring. |
| External Descriptors | Not available |
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| Solubilidad | DMSO |
|---|---|
| Peso molecular | 425.400 g/mol |
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 4 |
| Exact Mass | 425.054 Da |
| Monoisotopic Mass | 425.054 Da |
| Topological Polar Surface Area | 181.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 647.000 |
| 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 |
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