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MAT2A inhibitor 3

CAT: 0804-HY-139139-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-139139-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MAT2A inhibitor 3 is a methionine adenosyltransferase 2A (MAT2A) inhibitor extracted from patent WO2020123395A1, compound 24, has an IC50 of [1].
CAS Number
2439271-82-4
UNSPSC
12352005
Target
Methionine Adenosyltransferase (MAT)
Type
Reference compound
Related Pathways
Epigenetics; Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/mat2a-inhibitor-3.html
Purity
99.27
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
O=C1N(C2=CC=CC=C2)C3=C(C=CC(Cl)=C3)C(N(C)C)=N1
Molecular Formula
C16H14ClN3O
Molecular Weight
299.75
References & Citations
[1]Alam M, et, al. 2-oxoquinazoline derivatives as methionine adenosyltransferase 2a inhibitors. WO2020123395A1.
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

MAT2A inhibitor 3
CAS Number2439271-82-4
PubChem CID150703860
IUPAC Name7-chloro-4-(dimethylamino)-1-phenylquinazolin-2-one
Molecular FormulaC16H14ClN3O
Molecular Weight299.75
XLogP3.1
Topological Polar Surface Area35.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity431
SMILES
CN(C)C1=NC(=O)N(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C16H14ClN3O/c1-19(2)15-13-9-8-11(17)10-14(13)20(16(21)18-15)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKey
JMLJEYLWRAPHBL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MAT2A inhibitor 3
CAS: 2439271-82-4
CID: 150703860
Formula: C16H14ClN3O
MW: 299.75
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight299.75
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass299.0825398
Monoisotopic Mass299.0825398
Topological Polar Surface Area35.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity431
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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