Products for Research Use Only
RegisterLogin

CAY10561

CAT: 0013-GTR19191241-01Size: 500 µgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19191241-01Size:500 µg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
CAY10561 is a potent and selective ATP-competitive inhibitor of ERK2 (Ki=2 nM), a key kinase in the MAPK pathway constitutively active in many cancers. It inhibits proliferation in cellular models like COLO 205 cells (IC50=0.54 μM) and is a valuable tool for studying ERK-driven processes in oncology research.
CAS Number
933786-58-4
Field of Research
Signal Transduction
Smiles
C (NC (CO) C1=CC (Cl) =C (F) C=C1) (=O) C2=CC (C=3C (=CNN3) C4=CC (Cl) =CC=C4) =CN2
Molecular Formula
C22H17Cl2FN4O2
Molecular Weight
459.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl)-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide

structure in first source

CAS Number933786-58-4
PubChem CID135523966
IUPAC NameN-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-1H-pyrrole-2-carboxamide
Molecular FormulaC22H17Cl2FN4O2
Molecular Weight459.3
XLogP4.1
Topological Polar Surface Area93.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity618
SMILES
C1=CC(=CC(=C1)Cl)C2=C(NN=C2)C3=CNC(=C3)C(=O)NC(CO)C4=CC(=C(C=C4)F)Cl
InChI
InChI=1S/C22H17Cl2FN4O2/c23-15-3-1-2-12(6-15)16-10-27-29-21(16)14-8-19(26-9-14)22(31)28-20(11-30)13-4-5-18(25)17(24)7-13/h1-10,20,26,30H,11H2,(H,27,29)(H,28,31)
InChIKey
YMUYGRBBEDYUOP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl)-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CAS: 933786-58-4
CID: 135523966
Formula: C22H17Cl2FN4O2
MW: 459.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight459.3
XLogP34.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass458.0712593
Monoisotopic Mass458.0712593
Topological Polar Surface Area93.8 Ų
Heavy Atom Count31
Formal Charge0
Complexity618
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19191688-01CAY10565
GTR19191605-01CAY10567
GTR19190569-01CAY10568
GTR19175061-01CAY10566
GTR19212183-01CAY10581
GTR19191690-01CAY10563
GTR19190424-01CAY10761
GTR19156816-01CAY10566
GTR19191689CAY10564
GTR19232799-01CAY10464

Alternative Products

CatalogName
MBS5797761CAY10561

Popular Products