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KL1333 (hydrochloride)

CAT: 0804-HY-128895ASize: 1 EachDry Ice: NoHazardous: No
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Description
KL1333 hydrochloride is an orally active NAD+ modulator that reacts with NAD (P) H:quinone oxidoreductase 1 (NQO1) as a substrate, leading to increased intracellular NAD+ levels through NADH oxidation. Elevated NAD+ levels trigger activation of SIRT1 and AMPK, and subsequently activate PGC-1α. KL1333 hydrochloride improves energy metabolism and mitochondrial dysfunction in mitochondrial encephalomyopathy, lactic acidosis, and stroke-like episodes (MELAS) fibroblasts. KL1333 hydrochloride protects against cisplatin-induced ototoxicity in mouse cochlear cultures[1][2].
CAS Number
1800406-26-1
UNSPSC
12352005
Target
Mitochondrial Metabolism; Quinone Reductase
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Smiles
O=C(C1=C2N=C(C(C)C)N1)C(C3=C2C=CC=C3)=O.Cl
Molecular Formula
C14H13ClN2O2
Molecular Weight
276.72
References & Citations
[1]Seo KS, et al. KL1333, a Novel NAD+ Modulator, Improves Energy Metabolism and Mitochondrial Dysfunction in MELAS Fibroblasts. Front Neurol. 2018;9:552. Published 2018 Jul 5.|[2]Lee HS, et al. KL1333, a derivative of β-lapachone, protects against cisplatin-induced ototoxicity in mouse cochlear cultures. Biomed Pharmacother. 2020;126:110068.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-propan-2-yl-3H-benzo[e]benzimidazole-4,5-dione;hydrochloride
CAS Number1800406-26-1
PubChem CID178203347
IUPAC Name2-propan-2-yl-3H-benzo[e]benzimidazole-4,5-dione;hydrochloride
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72
Topological Polar Surface Area62.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity380
SMILES
CC(C)C1=NC2=C(N1)C(=O)C(=O)C3=CC=CC=C32.Cl
InChI
InChI=1S/C14H12N2O2.ClH/c1-7(2)14-15-10-8-5-3-4-6-9(8)12(17)13(18)11(10)16-14;/h3-7H,1-2H3,(H,15,16);1H
InChIKey
RNDNSLMFSCFMFS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-propan-2-yl-3H-benzo[e]benzimidazole-4,5-dione;hydrochloride
CAS: 1800406-26-1
CID: 178203347
Formula: C14H13ClN2O2
MW: 276.72
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight276.72
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass276.0665554
Monoisotopic Mass276.0665554
Topological Polar Surface Area62.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity380
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19263902-01KL1333 hydrochloride
GTR19155682-01KL1333
A17234-100KL1333 100mg
A17234-5KL1333 5mg
A17234-50KL1333 50mg
A17234-25KL1333 25mg
A17234-10KL1333 10mg
A17234-1KL1333 1mg
A17234-10mM-DKL1333 10mM * 1mL in DMSO
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