Determine the necessary mass, volume, or concentration for preparing a solution.
≥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.
Description:
IC50 Value: 22 nM(Apo-TK) ; 26 nM (EC50, Cellular TK) [1]
N3PT is a potent and selective TK inhibitor both in vitro and in vivo.
in vitro: N3PT inhibits transketolase activity in a cell based assay. Compe
| Canonical Smiles | CC1=NC(=C(C=C1)C[N+]2=CSC(=C2C)CCO)N.Cl.[Cl-] |
|---|---|
| IUPAC Name | 2-[3-[(2-amino-6-methylpyridin-3-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride |
| InChIKey | ZLGKCAQWOASSTP-UHFFFAOYSA-M |
| INCHI | 1S/C13H18N3OS.2ClH/c1-9-3-4-11(13(14)15-9)7-16-8-18-12(5-6-17)10(16)2;;/h3-4,8,17H,5-7H2,1-2H3,(H2,14,15);2*1H/q+1;;/p-1 |
| Isomeric SMILES | CC1=NC(=C(C=C1)C[N+]2=CSC(=C2C)CCO)N.Cl.[Cl-] |
| PubChem CID | 66970987 |
| Molecular Weight | 336.28 |
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 →| Solubility | 25°C: DMSO |
|---|---|
| Molecular Weight | 336.300 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 335.063 Da |
| Monoisotopic Mass | 335.063 Da |
| Topological Polar Surface Area | 91.300 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 267.000 |
| 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 | 3 |