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KSQ-4279

CAT: 0607-A4704-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-A4704-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2446480-97-1
Product Name Alternative
6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-(4-(1-isopropyl-4-(trifluoromethyl)-1H-imidazol-2-yl)benzyl)-1H-pyrazolo[3,4-d]pyrimidine
Sequence
USP1-IN-1
Purity
0.9899
Solubility
≥60.3 mg/mL in DMSO; ≥11.78 mg/mL in EtOH with ultrasonic; insoluble in H2O
Smiles
FC(F)(F)C1=CN(C(C)C)C(C2=CC=C(CN3N=CC4=C3N=C(N=C4)C5=C(C6CC6)N=CN=C5OC)C=C2)=N1
Molecular Formula
C27H25F3N8O
Molecular Weight
534.55
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Ksq-4279

USP1 inhibitor KSQ-4279 is an orally bioavailable selective inhibitor of the ubiquitin specific protease 1 (USP1), with apoptosis-inducing, tumor-sensitizing and antineoplastic activities. Upon oral administration, USP1 inhibitor KSQ-4279 specifically binds to and inhibits the activity of USP1, thereby blocking USP1-mediated deubiquitylating activity. This blocks the ubiquitin proteasome degradation pathway, prevents the degradation of defective proteins, and leads to an accumulation of mono-ubiquinated substrates. This induces the unfolded protein response (UPR). This may induce cell cycle arrest, reduce the expression of certain anti-apoptotic proteins, induce tumor cell apoptosis, inhibit tumor cell growth, and may sensitize tumor cells to DNA-targeting chemotherapeutics. USP1, a deubiquitinating enzyme overexpressed in various tumor cell types, plays a key role in the correct folding and deubiquitination of proteins and facilitates DNA repair via its role regulating the Fanconi anemia complex and translesion synthesis.

CAS Number2446480-97-1
PubChem CID150782011
IUPAC Name6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine
Molecular FormulaC27H25F3N8O
Molecular Weight534.5
XLogP4
Topological Polar Surface Area96.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count39
Formal Charge0
Complexity823
SMILES
CC(C)N1C=C(N=C1C2=CC=C(C=C2)CN3C4=NC(=NC=C4C=N3)C5=C(N=CN=C5OC)C6CC6)C(F)(F)F
InChI
InChI=1S/C27H25F3N8O/c1-15(2)37-13-20(27(28,29)30)35-24(37)18-6-4-16(5-7-18)12-38-25-19(11-34-38)10-31-23(36-25)21-22(17-8-9-17)32-14-33-26(21)39-3/h4-7,10-11,13-15,17H,8-9,12H2,1-3H3
InChIKey
KCBWAFJCKVKYHO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ksq-4279
CAS: 2446480-97-1
CID: 150782011
Formula: C27H25F3N8O
MW: 534.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight534.5
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass534.21034194
Monoisotopic Mass534.21034194
Topological Polar Surface Area96.4 Ų
Heavy Atom Count39
Formal Charge0
Complexity823
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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