≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 4 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Tankyrase Inhibitor; inhibits WNT signaling. Promotes cardiomyocyte differentiation from ESCs
| Canonical Smiles | C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F |
|---|---|
| IUPAC Name | 2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-4-one |
| InChIKey | KLGQSVMIPOVQAX-UHFFFAOYSA-N |
| INCHI | 1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20) |
| Isomeric SMILES | C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F |
| WGK Germany | 3 |
| PubChem CID | 135418940 |
| Molecular Weight | 312.31 |
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 | Pyranopyridines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyranopyridines |
| Alternative Parents | Trifluoromethylbenzenes Pyrimidones Pyridines and derivatives Vinylogous amides Heteroaromatic compounds Dialkylthioethers Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyranopyridine - Trifluoromethylbenzene - Pyrimidone - Monocyclic benzene moiety - Pyridine - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Azacycle - Dialkylthioether - Thioether - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyranopyridines. These are polycyclic aromatic compounds containing a pyran ring fused to a pyridine ring. |
| External Descriptors | (trifluoromethyl)benzenes - thiopyranopyrimidine |
| Molecular Weight | 312.310 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 312.054 Da |
| Monoisotopic Mass | 312.054 Da |
| Topological Polar Surface Area | 66.800 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 505.000 |
| 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 |
| 1. Xin Wang, Shoulin Li, Cheng Zhang, Wenping Xu, Mengqi Wu, Jiagao Cheng, Zhong Li, Liming Tao, Yang Zhang. (2023) Stereoselective toxicity of acetochlor chiral isomers on the nervous system of zebrafish larvae. JOURNAL OF HAZARDOUS MATERIALS, [PMID:37992503] [10.1016/j.jhazmat.2023.133016] |
| 2. Yuan Xu, Jian He, Jun He. (2022) Cyanidin attenuates the high hydrostatic pressure-induced degradation of cellular matrix of nucleus pulposus cell via blocking the Wnt/β-catenin signaling. TISSUE & CELL, [PMID:35472676] [10.1016/j.tice.2022.101798] |
| 3. Chen Gang, Chen Weicheng, Ye Ming, Tan Weiqiang, Jia Bing. (2019) TRIM59 knockdown inhibits cell proliferation by down-regulating the Wnt/β-catenin signaling pathway in neuroblastoma. BIOSCIENCE REPORTS, 39 (1): [PMID:30389710] [10.1042/BSR20181277] |
| 4. Hongwei Xiao, Jianfeng Li, Wei Huang, Yi Qin. (2025) FOXJ3 drives mesenchymal stem cell osteogenic differentiation via the Wnt/β‑catenin pathway: A novel regulator implicated in osteoporosis. Molecular Medicine Reports, 33 (1): (1-10). [PMID:41268592] [10.3892/mmr.2025.13760] |
