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TNG348

CAT: 1568-C14708-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C14708-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2839740-79-1
SKU
C14708-1mg
Target
JNK
Applications
MAPK
Molecular Formula
C27H23F6N9O
Additionnal Information
TNG348 is an orally bioavailable allosteric inhibitor targeting the ubiquitin-specific protease USP1. It selectively and potently blocks USP1 activity, preventing deubiquitination of proliferative PCNA and FANCD2, which disrupts DNA repair mechanisms. TNG348 demonstrates inhibitory effects against BRCA1/2-mutated and homologous recombination-deficient (HRD) breast and ovarian cancers .

Chemical Information

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-9-(4-(1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl)benzyl)-7-(2,2,2-trifluoroethyl)-7,9-dihydro-8H-purin-8-imine
CAS Number2839740-79-1
PubChem CID165135384
IUPAC Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7-(2,2,2-trifluoroethyl)purin-8-imine
Molecular FormulaC27H23F6N9O
Molecular Weight603.5
XLogP3.7
Topological Polar Surface Area109
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Heavy Atom Count43
Formal Charge0
Complexity991
SMILES
CN1C=C(N=C1C2=CC=C(C=C2)CN3C4=NC(=NC=C4N(C3=N)CC(F)(F)F)C5=C(N=CN=C5OC)C6CC6)C(F)(F)F
InChI
InChI=1S/C27H23F6N9O/c1-40-11-18(27(31,32)33)38-22(40)16-5-3-14(4-6-16)10-41-23-17(42(25(41)34)12-26(28,29)30)9-35-21(39-23)19-20(15-7-8-15)36-13-37-24(19)43-2/h3-6,9,11,13,15,34H,7-8,10,12H2,1-2H3
InChIKey
NKGSHRLGUQURMS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-9-(4-(1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl)benzyl)-7-(2,2,2-trifluoroethyl)-7,9-dihydro-8H-purin-8-imine
CAS: 2839740-79-1
CID: 165135384
Formula: C27H23F6N9O
MW: 603.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight603.5
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Exact Mass603.19297536
Monoisotopic Mass603.19297536
Topological Polar Surface Area109 Ų
Heavy Atom Count43
Formal Charge0
Complexity991
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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