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.
SRT3109 is a CXCR2 ligand for use in the treatment of chemokine mediated diseases and conditions.
| カノニカル・スマイル | CC(C(CO)O)NC1=CC(=NC(=N1)SCC2=C(C(=CC=C2)F)F)NS(=O)(=O)N3CCC3 |
|---|---|
| IUPAC Name | N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[[(2R,3R)-3,4-dihydroxybutan-2-yl]amino]pyrimidin-4-yl]azetidine-1-sulfonamide |
| InChIKey | QVKPEMXUBULFBM-RISCZKNCSA-N |
| INCHI | 1S/C18H23F2N5O4S2/c1-11(14(27)9-26)21-15-8-16(24-31(28,29)25-6-3-7-25)23-18(22-15)30-10-12-4-2-5-13(19)17(12)20/h2,4-5,8,11,14,26-27H,3,6-7,9-10H2,1H3,(H2,21,22,23,24)/t11-,14+/m1/s1 |
| 異性体SMILES | C[C@H]([C@H](CO)O)NC1=CC(=NC(=N1)SCC2=C(C(=CC=C2)F)F)NS(=O)(=O)N3CCC3 |
| PubChem CID | 44602493 |
| 分子量 | 475.53 |
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 | Organosulfur compounds |
| 分類 | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl thioethers |
| Alternative Parents | Secondary alkylarylamines Alkylarylthioethers Aminopyrimidines and derivatives Fluorobenzenes Sulfuric acid diamides Imidolactams Aryl fluorides Heteroaromatic compounds Secondary alcohols 1,2-diols Azetidines Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Primary alcohols |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl thioether - Aminopyrimidine - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Alkylarylthioether - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Sulfuric acid diamide - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Organic sulfuric acid or derivatives - Secondary alcohol - 1,2-diol - Azetidine - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Secondary amine - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary alcohol - Alcohol - Aromatic heteromonocyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group. |
| External Descriptors | Not available |
| 溶解度 | DMSO |
|---|---|
| 分子量 | 475.500 g/mol |
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 10 |
| Exact Mass | 475.116 Da |
| Monoisotopic Mass | 475.116 Da |
| Topological Polar Surface Area | 161.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 670.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
