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BI8622

CAT: 1410-M12905-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M12905-02Size:5 mg
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Description
BI8622 (BI-8622) is a specific small molecule inhibitor of the HUWE1 ubiquitin ligase with IC50 of 3.1 uM.
CAS Number
1875036-74-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
426.524
Molecular Formula
C25H26N6O
Notes
Research use only, not for human use.
Receptor
E3 Ubiquitin Ligase

Chemical Information

N-[4-(aminomethyl)phenyl]-6-(4-cyano-4-phenylpiperidin-1-yl)-5-methylpyrimidine-4-carboxamide
CAS Number1875036-74-0
PubChem CID138377590
IUPAC NameN-[4-(aminomethyl)phenyl]-6-(4-cyano-4-phenylpiperidin-1-yl)-5-methylpyrimidine-4-carboxamide
Molecular FormulaC25H26N6O
Molecular Weight426.5
XLogP2.7
Topological Polar Surface Area108
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity667
SMILES
CC1=C(N=CN=C1N2CCC(CC2)(C#N)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)CN
InChI
InChI=1S/C25H26N6O/c1-18-22(24(32)30-21-9-7-19(15-26)8-10-21)28-17-29-23(18)31-13-11-25(16-27,12-14-31)20-5-3-2-4-6-20/h2-10,17H,11-15,26H2,1H3,(H,30,32)
InChIKey
IJHAXMJRQQTBPL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[4-(aminomethyl)phenyl]-6-(4-cyano-4-phenylpiperidin-1-yl)-5-methylpyrimidine-4-carboxamide
CAS: 1875036-74-0
CID: 138377590
Formula: C25H26N6O
MW: 426.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.5
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass426.21680947
Monoisotopic Mass426.21680947
Topological Polar Surface Area108 Ų
Heavy Atom Count32
Formal Charge0
Complexity667
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

Related Products

CatalogName
M12906-01BI8626

Alternative Products

CatalogName
BA7375-10BI8622
A18710-100BI8622 100mg
A18710-50BI8622 50mg
A18710-1BI8622 1mg
A18710-25BI8622 25mg
A18710-10BI8622 10mg
A18710-5BI8622 5mg
A18710-10mM-DBI8622 10mM * 1mL in DMSO

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