Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98% Moligand™ 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
GSK-114 is a highly selective TNNI3K inhibitor (IC50= 25 nM). GSK-114 shows a 40-fold selectivity for TNNI3K over B-Raf kinase (IC50= 1 μM). Cardiac troponin I-interacting kinase (TNNI3K or CARK) is a member of the tyrosine-like kinase family that is selectively expressed in heart tissue.
| Canonical Smiles | CNS(=O)(=O)C1=CC(=C(C=C1)N(C)C)NC2=NC=NC3=CC(=C(C=C32)OC)OC |
|---|---|
| IUPAC Name | 3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-(dimethylamino)-N-methylbenzenesulfonamide |
| InChIKey | YUSROMRPOFFTMX-UHFFFAOYSA-N |
| INCHI | 1S/C19H23N5O4S/c1-20-29(25,26)12-6-7-16(24(2)3)15(8-12)23-19-13-9-17(27-4)18(28-5)10-14(13)21-11-22-19/h6-11,20H,1-5H3,(H,21,22,23) |
| Isomeric SMILES | CNS(=O)(=O)C1=CC(=C(C=C1)N(C)C)NC2=NC=NC3=CC(=C(C=C32)OC)OC |
| Molecular Weight | 417.48 |
| Reaxy-Rn | 23242676 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23242676&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 |
| Class | Diazanaphthalenes |
| Subclass | Benzodiazines |
| Intermediate Tree Nodes | Quinazolines |
| Direct Parent | Quinazolinamines |
| Alternative Parents | Aminobenzenesulfonamides Benzenesulfonyl compounds Dialkylarylamines Anisoles Aniline and substituted anilines Aminopyrimidines and derivatives Alkyl aryl ethers Organosulfonamides Imidolactams Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aminobenzenesulfonamide - Quinazolinamine - Benzenesulfonamide - Benzenesulfonyl group - Anisole - Phenol ether - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Organosulfonic acid amide - Imidolactam - Benzenoid - Aminosulfonyl compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Tertiary amine - Azacycle - Ether - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organopnictogen compound - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups. |
| 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 | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Apr 09, 2025 | G412389 | |
| Certificate of Analysis | Apr 09, 2025 | G412389 | |
| Certificate of Analysis | Apr 09, 2025 | G412389 | |
| Certificate of Analysis | Apr 09, 2025 | G412389 |
| Sensitivity | light sensitive |
|---|---|
| Molecular Weight | 417.500 g/mol |
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 7 |
| Exact Mass | 417.147 Da |
| Monoisotopic Mass | 417.147 Da |
| Topological Polar Surface Area | 114.000 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 629.000 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →