≥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
AZ-33 AZ-33 (LDHA Inhibitor 33) is a potent inhibitor of lactate dehydrogenase A (LDHA) with IC50 of 0.5 μM. LDHA is the key enzyme involved in anaerobic glycolysis which is frequently deregulated in human malignancies.
Targets
LDHA (Cell-free assay) 0.5 μM
| ALogP | 2.941 |
|---|---|
| hba_count | 5 |
| Recuento HBD | 2 |
| Enlace rotable | 12 |
| Pubchem Sid | 504771473 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504771473 |
| Sonrisas canónicas | CC1=NC2=C(S1)C=C(C=C2)NC(=O)CCNC(=O)CCCC3=CC=C(C=C3)CC(C(=O)O)C(=O)O |
| IUPAC Name | 2-[[4-[4-[[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl]amino]-4-oxobutyl]phenyl]methyl]propanedioic acid |
| InChIKey | SGFJAJFBGVAOFW-UHFFFAOYSA-N |
| INCHI | 1S/C25H27N3O6S/c1-15-27-20-10-9-18(14-21(20)35-15)28-23(30)11-12-26-22(29)4-2-3-16-5-7-17(8-6-16)13-19(24(31)32)25(33)34/h5-10,14,19H,2-4,11-13H2,1H3,(H,26,29)(H,28,30)(H,31,32)(H,33,34) |
| Isómeros SMILES | CC1=NC2=C(S1)C=C(C=C2)NC(=O)CCNC(=O)CCCC3=CC=C(C=C3)CC(C(=O)O)C(=O)O |
| Peso molecular | 497.56 |
| Reaxy-Rn | 22509984 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22509984&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 | Organic acids and derivatives |
| Clase | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives |
| Direct Parent | Beta amino acids and derivatives |
| Alternative Parents | Phenylpropanoic acids Benzothiazoles N-arylamides N-acyl amines Dicarboxylic acids and derivatives Benzene and substituted derivatives 1,3-dicarbonyl compounds Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Beta amino acid or derivatives - 3-phenylpropanoic-acid - 1,3-benzothiazole - N-arylamide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Fatty amide - Benzenoid - 1,3-dicarbonyl compound - N-acyl-amine - Azole - Heteroaromatic compound - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Carboxylic acid - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 G2227587 | Certificate of Analysis | May 09, 2025 | A412181 |
| G2227588 | Certificate of Analysis | May 09, 2025 | A412181 |
| G2227589 | Certificate of Analysis | May 09, 2025 | A412181 |
| G2227590 | Certificate of Analysis | May 09, 2025 | A412181 |
| G2227591 | Certificate of Analysis | May 09, 2025 | A412181 |
| Solubilidad | Solubility (25°C) In vitro DMSO: 100 mg/mL (200.98 mM); Water: ˂1 mg/mL Ethanol: ˂1 mg/mL |
|---|---|
| DMSO (mg/ml) Solubilidad máxima | 100 |
| DMSO (mM) Solubilidad máxima | 200.980786236836 |
| Agua (mg/ml) Solubilidad máxima | ˂1 |
| Peso molecular | 497.600 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 12 |
| Exact Mass | 497.162 Da |
| Monoisotopic Mass | 497.162 Da |
| Topological Polar Surface Area | 174.000 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 743.000 |
| 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 |
