≥95% 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.
T-1101 tosylate (TAI-95 tosylate) is a Hec1/Nek2 inhibitor with anti-tumor activity. T-1101 tosylate has no inhibitory effect on normal cells, kinases and hERG.
| Canonical Smiles | CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC(=CC(=C1C2=CSC(=N2)NC(=O)C3=CC=NC=C3)C)SC4=NC=C(N=C4)OCCOC |
|---|---|
| IUPAC Name | N-[4-[4-[5-(2-methoxyethoxy)pyrazin-2-yl]sulfanyl-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide;4-methylbenzenesulfonic acid |
| InChIKey | OUJWEAVKLYQREM-UHFFFAOYSA-N |
| INCHI | 1S/C24H23N5O3S2.C7H8O3S/c1-15-10-18(34-21-13-26-20(12-27-21)32-9-8-31-3)11-16(2)22(15)19-14-33-24(28-19)29-23(30)17-4-6-25-7-5-17;1-6-2-4-7(5-3-6)11(8,9)10/h4-7,10-14H,8-9H2,1-3H3,(H,28,29,30);2-5H,1H3,(H,8,9,10) |
| Isomeric SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC(=CC(=C1C2=CSC(=N2)NC(=O)C3=CC=NC=C3)C)SC4=NC=C(N=C4)OCCOC |
| PubChem CID | 71586372 |
| Molecular Weight | 665.80 |
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 |
| Class | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diarylthioethers |
| Alternative Parents | p-Methylbenzenesulfonates Tosyl compounds 1-sulfo,2-unsubstituted aromatic compounds Pyridinecarboxamides Benzenesulfonyl compounds m-Xylenes Thiophenol ethers 2,4-disubstituted thiazoles Alkyl aryl ethers Pyrazines Sulfonyls Organosulfonic acids Heteroaromatic compounds Secondary carboxylic acid amides Dialkyl ethers Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds |
| Molecular Framework | Not available |
| Substituents | P-methylbenzenesulfonate - Diarylthioether - Benzenesulfonate - Tosyl compound - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Pyridine carboxylic acid or derivatives - Pyridinecarboxamide - Thiophenol ether - M-xylene - Xylene - 2,4-disubstituted 1,3-thiazole - Toluene - Alkyl aryl ether - Pyridine - Benzenoid - Monocyclic benzene moiety - Pyrazine - Azole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Thiazole - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Sulfenyl compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2329727 | Certificate of Analysis | Jun 27, 2023 | T579369 |
| G2329728 | Certificate of Analysis | Jun 27, 2023 | T579369 |
| G2329768 | Certificate of Analysis | Jun 27, 2023 | T579369 |
| G2331135 | Certificate of Analysis | Jun 27, 2023 | T579369 |
| G2331141 | Certificate of Analysis | Jun 27, 2023 | T579369 |
| H2525063 | Certificate of Analysis | Jun 27, 2023 | T579369 |
| Sensitivity | Easy to damp |
|---|---|
| Molecular Weight | 665.800 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 10 |
| Exact Mass | 665.144 Da |
| Monoisotopic Mass | 665.144 Da |
| Topological Polar Surface Area | 215.000 Ų |
| Heavy Atom Count | 45 |
| Formal Charge | 0 |
| Complexity | 836.000 |
| 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 | 2 |
