KM04416

CAT: 0804-HY-148685-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No

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CAT#:0804-HY-148685-02Size:10 mM - 1 mL

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Description

KM04416, an isothiazolone derivative, is a potent glycerol-3-phosphate dehydrogenase (GPD2) inhibitor. KM04416 significantly inhibits PNT1A cell proliferation[1][2].

CAS Number

26530-26-7

UNSPSC

12352005

Target

Aldehyde Dehydrogenase (ALDH)

Type

Reference compound

Related Pathways

Metabolic Enzyme/Protease

Applications

Cancer-programmed cell death

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/km04416.html

Purity

98.76

Solubility

DMSO : 50 mg/mL (ultrasonic; warming; heat to 60°C)

Smiles

O=C(OCC)C1=CC=C(N2SC=CC2=O)C=C1

Molecular Formula

C12H11NO3S

Molecular Weight

249.29

References & Citations

[1]Sehyun Oh, et al. Non-bioenergetic roles of mitochondrial GPD2 promote tumor progression. Theranostics. 2023 Jan 1;13 (2) :438-457.|[2]Gurmit Singh, et al. Mitochondrial FAD-linked Glycerol-3-phosphate Dehydrogenase: A Target for Cancer Therapeutics. Pharmaceuticals (Basel) . 2014 Feb 11;7 (2) :192-206.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

Ethyl 4-(3-oxoisothiazol-2(3H)-yl)benzoate

Ethyl 4-(3-oxo-2,3-dihydroisothiazol-2-yl)benzoate is an organic molecular entity.

CAS Number	26530-26-7
PubChem CID	4381769
IUPAC Name	ethyl 4-(3-oxo-1,2-thiazol-2-yl)benzoate
Molecular Formula	C12H11NO3S
Molecular Weight	249.29
XLogP	1.8
Topological Polar Surface Area	71.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	335

SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C=CS2

InChI

InChI=1S/C12H11NO3S/c1-2-16-12(15)9-3-5-10(6-4-9)13-11(14)7-8-17-13/h3-8H,2H2,1H3

InChIKey

BZBRYBISKLKJCA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 26530-26-7

CID: 4381769

Formula: C12H11NO3S

MW: 249.29

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	249.29
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	249.04596439
Monoisotopic Mass	249.04596439
Topological Polar Surface Area	71.9 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	335
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
BUP21881	KM04416

KM04416

Chemical Information

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