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MRTX9768

CAT: 1410-M28771-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M28771-06Size:100 mg
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Description
MRTX-9768 is a synthetic lethal-based inhibitor designed to bind the PRMT5-MTA complex and selectively target MTAP/CDKN2A-deleted tumors.
CAS Number
2629314-68-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
424.43
Molecular Formula
C24H17FN6O
Notes
Research use only, not for human use.
Receptor
CK2

Chemical Information

2-(4-(4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl)-1-methyl-1H-pyrazol-5-yl)-3-fluoro-1-naphthonitrile
CAS Number2629314-68-5
PubChem CID156151804
IUPAC Name2-[4-[4-(aminomethyl)-1-oxo-2H-phthalazin-6-yl]-1-methylpyrazol-5-yl]-3-fluoronaphthalene-1-carbonitrile
Molecular FormulaC24H17FN6O
Molecular Weight424.4
XLogP2.8
Topological Polar Surface Area109
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity810
SMILES
CN1C(=C(C=N1)C2=CC3=C(C=C2)C(=O)NN=C3CN)C4=C(C5=CC=CC=C5C=C4F)C#N
InChI
InChI=1S/C24H17FN6O/c1-31-23(22-18(10-26)15-5-3-2-4-13(15)9-20(22)25)19(12-28-31)14-6-7-16-17(8-14)21(11-27)29-30-24(16)32/h2-9,12H,11,27H2,1H3,(H,30,32)
InChIKey
BPTYWAYMKBEXES-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-(4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl)-1-methyl-1H-pyrazol-5-yl)-3-fluoro-1-naphthonitrile
CAS: 2629314-68-5
CID: 156151804
Formula: C24H17FN6O
MW: 424.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight424.4
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass424.14478735
Monoisotopic Mass424.14478735
Topological Polar Surface Area109 Ų
Heavy Atom Count32
Formal Charge0
Complexity810
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