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BI8626

CAT: 0931-T14569-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T14569-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1875036-75-1
Target
E1/E2/E3 Enzyme
Related Pathways
Ubiquitination
Purity
0.9984
Bioactivity
BI8626 is a ubiquitin ligase HUWE1 inhibitor with protective effects against spontaneous desiccation syndrome in NOD/ShiLtj mice.BI8626 inhibits intracellular cholesterol and decreases the expression of phosphorylated ZAP-70, CD25, and other activation markers, and inhibits the proliferation of CD4 T-cells.
Smiles
NCc1cccc(CNc2ncnc3c(ncnc23)N2CCN(Cc3ccccc3)CC2)c1
Molecular Formula
C25H28N8
Molecular Weight
440.54
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(3-(Aminomethyl)benzyl)-8-(4-benzylpiperazin-1-yl)pyrimido[5,4-d]pyrimidin-4-amine
CAS Number1875036-75-1
PubChem CID138377589
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-4-(4-benzylpiperazin-1-yl)pyrimido[5,4-d]pyrimidin-8-amine
Molecular FormulaC25H28N8
Molecular Weight440.5
XLogP2.3
Topological Polar Surface Area96.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity577
SMILES
C1CN(CCN1CC2=CC=CC=C2)C3=NC=NC4=C3N=CN=C4NCC5=CC=CC(=C5)CN
InChI
InChI=1S/C25H28N8/c26-14-20-7-4-8-21(13-20)15-27-24-22-23(29-17-30-24)25(31-18-28-22)33-11-9-32(10-12-33)16-19-5-2-1-3-6-19/h1-8,13,17-18H,9-12,14-16,26H2,(H,27,29,30)
InChIKey
DZDNGSNKWIORRZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-(Aminomethyl)benzyl)-8-(4-benzylpiperazin-1-yl)pyrimido[5,4-d]pyrimidin-4-amine
CAS: 1875036-75-1
CID: 138377589
Formula: C25H28N8
MW: 440.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.5
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass440.24369293
Monoisotopic Mass440.24369293
Topological Polar Surface Area96.1 Ų
Heavy Atom Count33
Formal Charge0
Complexity577
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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