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USP7-797

CAT: 0931-T73234-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T73234-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2413944-70-2
Target
DUB
Related Pathways
Cell Cycle/Checkpoint, DNA Damage/DNA Repair, Ubiquitination
Purity
0.9618
Bioactivity
USP7-797 is a selective non-covalent active site USP7 inhibitor, inhibiting USP7 and ubiquitin binding, with anti-tumor, oral and high efficiency (IC50=0.44 nmol), it is effective on both wild-type and mutant p53 tumor cells, and can significantly inhibit the growth of tumor cells and induce apoptosis.
Smiles
CC1(C)C2C1C(=O)N(CC=3SC=4C(C3)=NC=CC4C5=C(C[C@@H]6CNCCO6)C(C)=CC(Cl)=C5)C2=O
Molecular Formula
C27H28ClN3O3S
Molecular Weight
510.05
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Usp7-IN-7
CAS Number2413944-70-2
PubChem CID146445055
IUPAC Name3-[[7-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
Molecular FormulaC27H28ClN3O3S
Molecular Weight510.0
XLogP3.9
Topological Polar Surface Area99.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity834
SMILES
CC1=CC(=CC(=C1C[C@@H]2CNCCO2)C3=C4C(=NC=C3)C=C(S4)CN5C(=O)C6C(C5=O)C6(C)C)Cl
InChI
InChI=1S/C27H28ClN3O3S/c1-14-8-15(28)9-20(19(14)10-16-12-29-6-7-34-16)18-4-5-30-21-11-17(35-24(18)21)13-31-25(32)22-23(26(31)33)27(22,2)3/h4-5,8-9,11,16,22-23,29H,6-7,10,12-13H2,1-3H3/t16-,22?,23?/m1/s1
InChIKey
DUAGQCVAGBJSHT-ZUTUBDCJSA-N
Chemical Structure
2D Structure
2D structure of Usp7-IN-7
CAS: 2413944-70-2
CID: 146445055
Formula: C27H28ClN3O3S
MW: 510.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight510.0
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass509.1539906
Monoisotopic Mass509.1539906
Topological Polar Surface Area99.8 Ų
Heavy Atom Count35
Formal Charge0
Complexity834
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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Alternative Products

CatalogName
HY-136910-01USP7-797
B2462-5ARRY-797
GTR19211375-01FLA-797
339207-01USP7
C8380-5NIR-797-isothiocyanate
GTR19276128-01CRBN ligand-797
GTR19196461-01SMP-797 HCl
HY-122227SMP-797 (hydrochloride)
TRC-I749005-100MGIR-797 chloride
MBS5777492L-797,591

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