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RS6212

CAT: 0013-GTR19186621-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186621-02Size:50 mg
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Description
RS6212 is a potent and selective lactate dehydrogenase (LDH) inhibitor with an IC50 of 12.03 μM. It exhibits broad-spectrum anticancer activity in vitro and is a valuable chemical probe for researching cancer metabolism, particularly in studies targeting the Warburg effect.
CAS Number
2097925-52-3
Field of Research
Cell Biology, Metabolism Research
Smiles
O=S1 (=O) N=C (C=2C1=CC=CC2) N3CCC (CN4N=C5C (=CC4=O) CCC5) CC3
Molecular Formula
C20H22N4O3S
Molecular Weight
398.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-[4-({3-oxo-2H,3H,5H,6H,7H-cyclopenta[c]pyridazin-2-yl}methyl)piperidin-1-yl]-1lambda6,2-benzothiazole-1,1-dione
CAS Number2097925-52-3
PubChem CID126854409
IUPAC Name2-[[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
Molecular FormulaC20H22N4O3S
Molecular Weight398.5
XLogP1.3
Topological Polar Surface Area90.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity862
SMILES
C1CC2=CC(=O)N(N=C2C1)CC3CCN(CC3)C4=NS(=O)(=O)C5=CC=CC=C54
InChI
InChI=1S/C20H22N4O3S/c25-19-12-15-4-3-6-17(15)21-24(19)13-14-8-10-23(11-9-14)20-16-5-1-2-7-18(16)28(26,27)22-20/h1-2,5,7,12,14H,3-4,6,8-11,13H2
InChIKey
NLYIQDCNUYJYRJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[4-({3-oxo-2H,3H,5H,6H,7H-cyclopenta[c]pyridazin-2-yl}methyl)piperidin-1-yl]-1lambda6,2-benzothiazole-1,1-dione
CAS: 2097925-52-3
CID: 126854409
Formula: C20H22N4O3S
MW: 398.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.5
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass398.14126175
Monoisotopic Mass398.14126175
Topological Polar Surface Area90.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity862
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

Alternative Products

CatalogName
T61898-01RS6212

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