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AZ-33 - 10mM in DMSO, high purity , CAS No.1370290-34-8
Basic Description
Synonyms
LDHA Inhibitor 33Propanedioic acid,2-[[4-[4-[[3-[(2-methyl-6-benzothiazolyl)amino]-3-oxopropyl]amino]-4-oxobutyl]phenyl]methyl]-
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
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.
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
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
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
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
Description
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
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Product Properties
ALogP
2.941
hba_count
5
HBD Count
2
Rotatable Bond
12
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2-[[4-[4-[[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl]amino]-4-oxobutyl]phenyl]methyl]propanedioic acid
INCHI
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)
InChIKey
SGFJAJFBGVAOFW-UHFFFAOYSA-N
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
Isomeric 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
Molecular Weight
497.56
Reaxy-Rn
22509984
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22509984&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
DMSO(mg / mL) Max Solubility
100
DMSO(mM) Max Solubility
200.980786236836
Water(mg / mL) Max Solubility
˂1
Molecular Weight
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
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