≥99% 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.
LDH-IN-1 is a novel pyrazole-based inhibitor of human lactate dehydrogenase (LDH) with IC 50 s of 32 and 27 nM for LDHA and LDHB, respectively.
In Vitro
LDH-IN-1 exhibits low nM inhibition of both LDHA and LDHB (IC 50 =32, 27 nM, respectively), submicromolar inhibition of lactate production, and inhibition of lactate in MiaPaCa2 pancreatic cancer and A673 sarcoma cells (IC 50 =0.517, 0.854μM, respectively). LDH-IN-1 inhibits the growth of MiaPaCa2 pancreatic cancer and A673 sarcoma cells with IC 50 s of 2.23 and 1.21 μM). Dose?response treatment of MiaPaCa-2 cells with LDH-IN-1 shows effects on cellular proliferation at concentrations as low as 250 nM and with nearly complete arrest of cell growth at 20 μM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
LDH-IN-1 shows clearance values that far exceed hepatic blood flow (HBF) in mouse species (90 mL/min/kg), with in vivo clearances of 227 mL/min/kg . MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:IC50: 32 nM (LDHA), 27 nM (LDHB)
| Sonrisas canónicas | C1CC1CC2=C(C(=NN2C3=NC(=CS3)C(=O)O)C4=CC=CC(=C4)C5=CC=CC=C5)CC6=CC=C(C=C6)S(=O)(=O)N |
|---|---|
| IUPAC Name | 2-[5-(cyclopropylmethyl)-3-(3-phenylphenyl)-4-[(4-sulfamoylphenyl)methyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid |
| InChIKey | ALJORCZKMBZYCR-UHFFFAOYSA-N |
| INCHI | 1S/C30H26N4O4S2/c31-40(37,38)24-13-11-19(12-14-24)15-25-27(16-20-9-10-20)34(30-32-26(18-39-30)29(35)36)33-28(25)23-8-4-7-22(17-23)21-5-2-1-3-6-21/h1-8,11-14,17-18,20H,9-10,15-16H2,(H,35,36)(H2,31,37,38) |
| Isómeros SMILES | C1CC1CC2=C(C(=NN2C3=NC(=CS3)C(=O)O)C4=CC=CC(=C4)C5=CC=CC=C5)CC6=CC=C(C=C6)S(=O)(=O)N |
| PubChem CID | 131955127 |
| Peso molecular | 570.68 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Biphenyls and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Biphenyls and derivatives |
| Alternative Parents | Phenylpyrazoles Benzenesulfonamides Benzenesulfonyl compounds Thiazolecarboxylic acids and derivatives 2,4-disubstituted thiazoles Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Biphenyl - Phenylpyrazole - Benzenesulfonamide - Benzenesulfonyl group - Thiazolecarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Organosulfonic acid amide - Heteroaromatic compound - Aminosulfonyl compound - Thiazole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrazole - Azole - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond. |
| External Descriptors | Not available |
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| Solubilidad | DMSO : 52 mg/mL (91.12 mM; Need ultrasonic) |
|---|---|
| Peso molecular | 570.700 g/mol |
| XLogP3 | 6.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 9 |
| Exact Mass | 570.14 Da |
| Monoisotopic Mass | 570.14 Da |
| Topological Polar Surface Area | 165.000 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 975.000 |
| 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 |
