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Aloisine B

CAT: 0804-HY-118902-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-118902-01Size:1 mg
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Description
Aloisine B (compound 9) is a cyclin-dependent kinase (CDK) inhibitor. Aloisine B inhibits cell proliferation by arresting cells in both G1 and G2 via competing with ATP-binding pocket[1].
CAS Number
496864-14-3
UNSPSC
12352005
Target
CDK
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-Kinase/protease
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/aloisine-b.html
Solubility
10 mM in DMSO
Smiles
CC(C1=C(C2=CC=C(Cl)C=C2)NC3=NC=CN=C31)C
Molecular Formula
C15H14ClN3
Molecular Weight
271.74
References & Citations
[1]Yvette Mettey, et al. Aloisines, a new family of CDK/GSK-3 inhibitors. SAR study, crystal structure in complex with CDK2, enzyme selectivity, and cellular effects. J Med Chem. 2003, 46, 2.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Aloisine B
CAS Number496864-14-3
PubChem CID6538793
IUPAC Name6-(4-chlorophenyl)-7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine
Molecular FormulaC15H14ClN3
Molecular Weight271.74
XLogP3.7
Topological Polar Surface Area41.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity302
SMILES
CC(C)C1=C(NC2=NC=CN=C12)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H14ClN3/c1-9(2)12-13(10-3-5-11(16)6-4-10)19-15-14(12)17-7-8-18-15/h3-9H,1-2H3,(H,18,19)
InChIKey
GFJIABMYYUGNEC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aloisine B
CAS: 496864-14-3
CID: 6538793
Formula: C15H14ClN3
MW: 271.74
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight271.74
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass271.0876252
Monoisotopic Mass271.0876252
Topological Polar Surface Area41.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity302
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