≥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
AT-007 is an orally active central nervous system (CNS) penetrant inhibitor of Aldose Reductase. AT-007 is used for the treatment of Galactosemia with IC50 of 100 pM.
| Canonical Smiles | C1=CC2=C(C=C1C(F)(F)F)N=C(S2)CN3C(=O)C4=CSC=C4C(=N3)CC(=O)O |
|---|---|
| IUPAC Name | 2-[4-oxo-3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]thieno[3,4-d]pyridazin-1-yl]acetic acid |
| InChIKey | ORQGHAJIWGGFJK-UHFFFAOYSA-N |
| INCHI | 1S/C17H10F3N3O3S2/c18-17(19,20)8-1-2-13-12(3-8)21-14(28-13)5-23-16(26)10-7-27-6-9(10)11(22-23)4-15(24)25/h1-3,6-7H,4-5H2,(H,24,25) |
| Isomeric SMILES | C1=CC2=C(C=C1C(F)(F)F)N=C(S2)CN3C(=O)C4=CSC=C4C(=N3)CC(=O)O |
| Molecular Weight | 425.4 |
| Reaxy-Rn | 32555931 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32555931&ln= |
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 | Benzothiazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzothiazoles |
| Alternative Parents | Thieno[3,4-d]pyridazines Pyridazinones Benzenoids Thiophenes Thiazoles Heteroaromatic compounds Lactams Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thienopyridazine - Thieno[3,4-d]pyridazine - 1,3-benzothiazole - Pyridazinone - Benzenoid - Pyridazine - Heteroaromatic compound - Thiophene - Thiazole - Azole - Lactam - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom). |
| 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 |
|---|---|---|---|
 A2417062 | Certificate of Analysis | Dec 14, 2023 | A412558 |
| A2417063 | Certificate of Analysis | Dec 14, 2023 | A412558 |
| A2417064 | Certificate of Analysis | Dec 14, 2023 | A412558 |
| A2417065 | Certificate of Analysis | Dec 14, 2023 | A412558 |
| A2417066 | Certificate of Analysis | Dec 14, 2023 | A412558 |
| A2417138 | Certificate of Analysis | Dec 14, 2023 | A412558 |
| A2417139 | Certificate of Analysis | Dec 14, 2023 | A412558 |
| A2417140 | Certificate of Analysis | Dec 14, 2023 | A412558 |
| A2417141 | Certificate of Analysis | Dec 14, 2023 | A412558 |
| A2417142 | Certificate of Analysis | Dec 14, 2023 | A412558 |
| Molecular Weight | 425.400 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 4 |
| Exact Mass | 425.012 Da |
| Monoisotopic Mass | 425.012 Da |
| Topological Polar Surface Area | 139.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 690.000 |
| 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 |
