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G-5555

CAT: 0957-S8139-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-S8139-01Size:5 mg
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Description
G-5555 is a selective inhibitor of Group I p21-activated kinases (PAKs), including PAK1, PAK2, and PAK3, with Ki values of 3.7 nM for PAK1 and 11 nM for PAK2.
CAS Number
1648863-90-4
Target
PAK
Activity
Cytoskeletal Signaling
Molecular Formula
C25H25ClN6O3

Chemical Information

8-[(Trans-5-Amino-1,3-Dioxan-2-Yl)methyl]-6-[2-Chloro-4-(6-Methylpyridin-2-Yl)phenyl]-2-(Methylamino)pyrido[2,3-D]pyrimidin-7(8h)-One
CAS Number1648863-90-4
PubChem CID91664373
IUPAC Name8-[(5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
Molecular FormulaC25H25ClN6O3
Molecular Weight493.0
XLogP2.5
Topological Polar Surface Area115
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity778
SMILES
CC1=NC(=CC=C1)C2=CC(=C(C=C2)C3=CC4=CN=C(N=C4N(C3=O)CC5OCC(CO5)N)NC)Cl
InChI
InChI=1S/C25H25ClN6O3/c1-14-4-3-5-21(30-14)15-6-7-18(20(26)9-15)19-8-16-10-29-25(28-2)31-23(16)32(24(19)33)11-22-34-12-17(27)13-35-22/h3-10,17,22H,11-13,27H2,1-2H3,(H,28,29,31)
InChIKey
ZBCMHWUFWQFPLV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-[(Trans-5-Amino-1,3-Dioxan-2-Yl)methyl]-6-[2-Chloro-4-(6-Methylpyridin-2-Yl)phenyl]-2-(Methylamino)pyrido[2,3-D]pyrimidin-7(8h)-One
CAS: 1648863-90-4
CID: 91664373
Formula: C25H25ClN6O3
MW: 493.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight493.0
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass492.1676664
Monoisotopic Mass492.1676664
Topological Polar Surface Area115 Ų
Heavy Atom Count35
Formal Charge0
Complexity778
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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Alternative Products

CatalogName
BA4353-5.1G-5555
451021-01G 5555
407204G‑5555
A20702-100G-5555 100mg
GTR19184908G-5555 hydrochloride
A20702-50G-5555 50mg
A20702-25G-5555 25mg
A20702-2G-5555 2mg
A20702-1G-5555 1mg
HY-19635A-01G-5555 (hydrochloride)

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