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3MB-PP1

CAT: 0931-T21678-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T21678-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
956025-83-5
Target
CDK, DAPK, PLK
Related Pathways
Cell Cycle/Checkpoint, Apoptosis
Purity
0.9997
Bioactivity
3MB-PP1 is a bulky purine analog and a Polo-like kinase 1 (Plk1) inhibitor. In cells expressing analog-sensitive Plk1 alleles, 3MB-PP1 blocks mitotic progression and cell division arise by targeting Plk1. 3MB-PP1 specifically inhibits analog-sensitive Ssn3 (Cdk8) . 3MB-PP1 inhibits Leu93 Mutant Zipper-interacting protein kinase with IC50 of 2 μM. 3MB-PP1 can be used for the research of cell division and hypha formation of Candida albicans.
Smiles
Cc1cccc(Cc2nn(c3ncnc(N)c23)C(C)(C)C)c1
Molecular Formula
C17H21N5
Molecular Weight
295.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3MB-PP1
CAS Number956025-83-5
PubChem CID24865390
IUPAC Name1-tert-butyl-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
Molecular FormulaC17H21N5
Molecular Weight295.4
XLogP3
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity380
SMILES
CC1=CC(=CC=C1)CC2=NN(C3=NC=NC(=C23)N)C(C)(C)C
InChI
InChI=1S/C17H21N5/c1-11-6-5-7-12(8-11)9-13-14-15(18)19-10-20-16(14)22(21-13)17(2,3)4/h5-8,10H,9H2,1-4H3,(H2,18,19,20)
InChIKey
FYCOTGCSHZKHPR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3MB-PP1
CAS: 956025-83-5
CID: 24865390
Formula: C17H21N5
MW: 295.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.4
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass295.17969569
Monoisotopic Mass295.17969569
Topological Polar Surface Area69.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity380
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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