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G-5555

CAT: 0804-HY-19635-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-19635-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
G-5555 is a potent p21-activated kinase 1 (PAK1) inhibitor with Kis of 3.7 nM and 11 nM for PAK1 and PAK2, respectively.
CAS Number
1648863-90-4
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
PAK
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Cytoskeleton
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/G-5555.html
Purity
99.88
Solubility
DMSO : 25 mg/mL (ultrasonic; warming; heat to 80°C)
Smiles
ClC(C=C(C1=NC(C)=CC=C1)C=C2)=C2C3=CC4=CN=C(NC)N=C4N(C[C@@H]5OC[C@@H](N)CO5)C3=O
Molecular Formula
C25H25ClN6O3
Molecular Weight
492.96
Precautions
H302, H315, H319, H335
References & Citations
[1]Ndubaku CO, et al. Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety. ACS Med Chem Lett. 2015 Oct 31;6 (12) :1241-6.|[2]Rudolph J, et al. Chemically Diverse Group I p21-Activated Kinase (PAK) Inhibitors Impart Acute Cardiovascular Toxicity with a Narrow Therapeutic Window. J Med Chem. 2016 Jun 9;59 (11) :5520-41.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PAK1; PAK2
Citation 01
Acta Pharm Sin B. 2020 Apr;10 (4) :603-614.|Elife. 2017 Mar 13;6:e22207. |Endocr Relat Cancer. 2019 Aug;26 (8) :699-712.|Exp Hematol. 2023 Nov:127:59-69.e2.|PLoS One. 2024 Jul 31;19 (7) :e0305121.|Research Square Preprint. 2021 Apr.|Endocr Relat Cancer. 2019 Aug;26 (8) :699-712.

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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A20702-2G-5555 2mg

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