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I-138

CAT: 1410-M36543-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M36543-02Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
I-138 is an orally active and potent reversible inhibitor of USP1-UAF1.I-138 induces mono-ubiquitination of FANCD2 and PCNA and inhibits USP1 auto-cleavage in cells.
CAS Number
2098211-50-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
492.5
Molecular Formula
C26H23F3N6O
Notes
Research use only, not for human use.
Receptor
DUB

Chemical Information

2-(2-Isopropylphenyl)-9-(4-(1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl)benzyl)-7,9-dihydro-8H-purin-8-one
CAS Number2098211-50-6
PubChem CID129139687
IUPAC Name9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-7H-purin-8-one
Molecular FormulaC26H23F3N6O
Molecular Weight492.5
XLogP4.3
Topological Polar Surface Area75.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count36
Formal Charge0
Complexity773
SMILES
CC(C)C1=CC=CC=C1C2=NC=C3C(=N2)N(C(=O)N3)CC4=CC=C(C=C4)C5=NC(=CN5C)C(F)(F)F
InChI
InChI=1S/C26H23F3N6O/c1-15(2)18-6-4-5-7-19(18)22-30-12-20-24(33-22)35(25(36)31-20)13-16-8-10-17(11-9-16)23-32-21(14-34(23)3)26(27,28)29/h4-12,14-15H,13H2,1-3H3,(H,31,36)
InChIKey
MVCJEDLGJGHLJM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-Isopropylphenyl)-9-(4-(1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl)benzyl)-7,9-dihydro-8H-purin-8-one
CAS: 2098211-50-6
CID: 129139687
Formula: C26H23F3N6O
MW: 492.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight492.5
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass492.18854386
Monoisotopic Mass492.18854386
Topological Polar Surface Area75.9 Ų
Heavy Atom Count36
Formal Charge0
Complexity773
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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