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DC-U4106

CAT: 0931-T63685-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T63685-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2410534-62-0
Target
Others, DUB, Apoptosis
Related Pathways
DNA Damage/DNA Repair, Cell Cycle/Checkpoint, Ubiquitination, Others, Apoptosis
Bioactivity
DC-U4106 is a USP8-targeted inhibitor (Kd: 4.7 μM, IC50: 1.2 μM) . DC-U4106 can use the ubiquitination pathway to promote the degradation of Erα. DC-U4106 inhibits the growth of tumor cells with low toxicity and can be used to study breast cancer.
Smiles
Cc1n[nH]c(C)c1Oc1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(cc1)N1CCN(CC1)c1ccccn1
Molecular Formula
C29H27N5O5
Molecular Weight
525.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 155301443
CAS Number2410534-62-0
PubChem CID155301443
IUPAC Name8-[(3,5-dimethyl-1H-pyrazol-4-yl)oxy]-5,7-dihydroxy-2-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]chromen-4-one
Molecular FormulaC29H27N5O5
Molecular Weight525.6
XLogP4.6
Topological Polar Surface Area124
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count39
Formal Charge0
Complexity889
SMILES
CC1=C(C(=NN1)C)OC2=C(C=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)N5CCN(CC5)C6=CC=CC=N6)O)O
InChI
InChI=1S/C29H27N5O5/c1-17-27(18(2)32-31-17)39-28-23(37)15-21(35)26-22(36)16-24(38-29(26)28)19-6-8-20(9-7-19)33-11-13-34(14-12-33)25-5-3-4-10-30-25/h3-10,15-16,35,37H,11-14H2,1-2H3,(H,31,32)
InChIKey
VNWOJNLRTJFWRQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 155301443
CAS: 2410534-62-0
CID: 155301443
Formula: C29H27N5O5
MW: 525.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight525.6
XLogP34.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass525.20121898
Monoisotopic Mass525.20121898
Topological Polar Surface Area124 Ų
Heavy Atom Count39
Formal Charge0
Complexity889
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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