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AZ-33

CAT: 0957-S0108-02Size: 10 mm/ 1 mLDry Ice: NoHazardous: No
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CAT#:0957-S0108-02Size:10 mm/ 1 mL
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Description
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.
CAS Number
1370290-34-8
Synonyms
LDHA Inhibitor 33
Target
LDH
Activity
Metabolism
Molecular Formula
C25H27N3O6S
Storage Conditions
3 years -20°C powder

Chemical Information

{4-[4-({3-[(2-Methyl-1,3-benzothiazol-6-YL)amino]-3-oxopropyl}amino)-4-oxobutyl]benzyl}propanedioic acid
CAS Number1370290-34-8
PubChem CID56844254
IUPAC Name2-[[4-[4-[[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl]amino]-4-oxobutyl]phenyl]methyl]propanedioic acid
Molecular FormulaC25H27N3O6S
Molecular Weight497.6
XLogP3
Topological Polar Surface Area174
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count35
Formal Charge0
Complexity743
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
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
Chemical Structure
2D Structure
2D structure of {4-[4-({3-[(2-Methyl-1,3-benzothiazol-6-YL)amino]-3-oxopropyl}amino)-4-oxobutyl]benzyl}propanedioic acid
CAS: 1370290-34-8
CID: 56844254
Formula: C25H27N3O6S
MW: 497.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight497.6
XLogP33
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass497.16205676
Monoisotopic Mass497.16205676
Topological Polar Surface Area174 Ų
Heavy Atom Count35
Formal Charge0
Complexity743
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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