≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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.
Information
TG-89 is an inhibitor ofJAK2with IC50 of 11.2 μM.
Targets
JAK2 (Cell-free assay) 11.2 μM
| ALogP | 4.301 |
|---|---|
| HBD数 | 3 |
| 回転可能な結合 | 9 |
| カノニカル・スマイル | CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=CC(=C3)CN4CCOCC4 |
|---|---|
| IUPAC Name | N-tert-butyl-3-[[5-methyl-2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide |
| InChIKey | OOSKXASFJFSOBK-UHFFFAOYSA-N |
| INCHI | 1S/C26H34N6O3S/c1-19-17-27-25(29-21-8-5-7-20(15-21)18-32-11-13-35-14-12-32)30-24(19)28-22-9-6-10-23(16-22)36(33,34)31-26(2,3)4/h5-10,15-17,31H,11-14,18H2,1-4H3,(H2,27,28,29,30) |
| 異性体SMILES | CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=CC(=C3)CN4CCOCC4 |
| PubChem CID | 16723044 |
| 分子量 | 510.65 |
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 |
| 分類 | Benzene and substituted derivatives |
| Subclass | Benzenesulfonamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonamides |
| Alternative Parents | Benzenesulfonyl compounds Phenylmethylamines Aniline and substituted anilines Benzylamines Aminopyrimidines and derivatives Aralkylamines Organosulfonamides Morpholines Imidolactams Aminosulfonyl compounds Heteroaromatic compounds Trialkylamines Secondary amines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzenesulfonamide - Benzenesulfonyl group - Benzylamine - Phenylmethylamine - Aniline or substituted anilines - Aminopyrimidine - Aralkylamine - Morpholine - Oxazinane - Pyrimidine - Organosulfonic acid amide - Imidolactam - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Secondary amine - Organooxygen compound - Organonitrogen compound - Amine - Organopnictogen compound - Organosulfur compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound |
| 説明 | 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 |
| 溶解度 | Solubility (25°C) In vitro DMSO: 10 mg/mL (19.58 mM); Water: ˂1 mg/mL Ethanol: ˂1 mg/mL |
|---|---|
| DMSO（mg / mL） 最大溶解度 | 10 |
| DMSO（mM） 最大溶解度 | 19.5828845588955 |
| 水（mg / mL） 最大溶解度 | ˂1 |
| 分子量 | 510.700 g/mol |
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 9 |
| Exact Mass | 510.241 Da |
| Monoisotopic Mass | 510.241 Da |
| Topological Polar Surface Area | 117.000 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 780.000 |
| 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 |
