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PAK4-IN-2

CAT: 0931-T61299-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T61299-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2488706-33-6
Target
Apoptosis, Others, PAK
Related Pathways
Others, Cytoskeletal Signaling, Apoptosis
Bioactivity
PAK4-IN-2 is an exceptionally effective inhibitor of PAK4, exhibiting an IC 50 value of 2.7 nM. This compound is capable of arresting MV4-11 cells at the G0/G1 phase and inducing cell apoptosis. It holds significant potential in cancer research [1].
Smiles
N(C1=C2C(=NC(NC3=CC(Cl)=CC=C3)=N1)NC=C2)[C@@H]4CC[C@H](N)CC4
Molecular Formula
C18H21ClN6
Molecular Weight
356.85
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pak4-IN-2
CAS Number2488706-33-6
PubChem CID163322024
IUPAC Name4-N-(4-aminocyclohexyl)-2-N-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Molecular FormulaC18H21ClN6
Molecular Weight356.9
XLogP3.9
Topological Polar Surface Area91.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity430
SMILES
C1CC(CCC1N)NC2=NC(=NC3=C2C=CN3)NC4=CC(=CC=C4)Cl
InChI
InChI=1S/C18H21ClN6/c19-11-2-1-3-14(10-11)23-18-24-16-15(8-9-21-16)17(25-18)22-13-6-4-12(20)5-7-13/h1-3,8-10,12-13H,4-7,20H2,(H3,21,22,23,24,25)
InChIKey
CJLQQZSGCYBOSS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pak4-IN-2
CAS: 2488706-33-6
CID: 163322024
Formula: C18H21ClN6
MW: 356.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.9
XLogP33.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass356.1516224
Monoisotopic Mass356.1516224
Topological Polar Surface Area91.7 Ų
Heavy Atom Count25
Formal Charge0
Complexity430
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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MBS5804003PAK4-IN-2
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