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LDHA-IN-4

CAT: 0013-GTR19171373-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19171373-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
LDHA-IN-4 (AZ33) is a potent inhibitor of human lactate dehydrogenase A (LDHA), exhibiting a binding affinity (Kd) of 0.093 μM as determined by SPR analysis. This small molecule is a valuable research tool for investigating cancer metabolism and tumor progression in both cellular and animal models, targeting the Warburg effect.
CAS Number
1370290-34-8
Product Name Alternative
AZ33, AZ-33, AZ 33, Inhibitor, LDH, LDHA, LDHA IN 4, LDHA Inhibitor, LDHAIN4, LDHA-IN-4, Lactate Dehydrogenase, inhibit
Field of Research
Metabolism Research
Purity
98.17% (May vary between batches)
Solubility
DMSO:4.98 mg/mL (10.01 mM)
Smiles
Cc1nc2ccc (NC (=O) CCNC (=O) CCCc3ccc (CC (C (O) =O) C (O) =O) cc3) cc2s1
Molecular Formula
C25H27N3O6S
Molecular Weight
497.56
Storage Conditions
-20°C
Notes
For research use only.

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...
View on PubChemRaw 3D data
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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