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BI8622

CAT: 0931-T14568-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T14568-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1875036-74-0
Target
DNA/RNA Synthesis, E1/E2/E3 Enzyme, c-Myc
Related Pathways
Ubiquitination, Cell Cycle/Checkpoint, DNA Damage/DNA Repair
Purity
0.9828
Bioactivity
BI8622 is a ubiquitin ligase HUWE1-specific antagonist that restores the level of RP2 mutants in retinal cell lines and inhibits the activation of NLRP3, NLRC4, and AIM2 inflammatory vesicles in cells.
Smiles
N#CC1(C=2C=CC=CC2)CCN(C=3N=CN=C(C(=O)NC4=CC=C(C=C4)CN)C3C)CC1
Molecular Formula
C25H26N6O
Molecular Weight
426.51
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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

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CatalogName
T14569-01BI8626

Alternative Products

CatalogName
BA7375-5.1BI8622
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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