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ERK5-IN-2

CAT: 0804-HY-128341-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-128341-01Size:5 mg
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Description
ERK5-IN-2 is an orally active, sub-micromolar, selective ERK5 inhibitor with IC50s of 0.82 μM, 3 μM for ERK5 and ERK5 MEF2D, respectively. ERK5-IN-2 does not interact with the BRD4 bromodomain. ERK5-IN-2 suppresses both tumor xenograft growth and basic fibroblast growth factor (bFGF) driven Matrigel plug angiogenesis[1].
CAS Number
1888305-96-1
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
ERK
Type
Reference compound
Related Pathways
MAPK/ERK Pathway; Stem Cell/Wnt
Applications
Cancer-Kinase/protease
Field of Research
Cancer; Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/erk5-in-2.html
Purity
98.96
Solubility
DMSO : 250 mg/mL (ultrasonic)
Smiles
FC1=CC=CC(Br)=C1C(C2=CNC(C(NC3=CC=CN=C3)=O)=C2)=O
Molecular Formula
C17H11BrFN3O2
Molecular Weight
388.19
Precautions
H302, H315, H319, H335
References & Citations
[1]Myers SM, et al. Identification of a novel orally bioavailable ERK5 inhibitor with selectivity over p38α and BRD4. Eur J Med Chem. 2019 May 25;178:530-543.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
ERK5

Chemical Information

Erk5-IN-2
CAS Number1888305-96-1
PubChem CID118959080
IUPAC Name4-(2-bromo-6-fluorobenzoyl)-N-pyridin-3-yl-1H-pyrrole-2-carboxamide
Molecular FormulaC17H11BrFN3O2
Molecular Weight388.2
XLogP2.9
Topological Polar Surface Area74.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity479
SMILES
C1=CC(=C(C(=C1)Br)C(=O)C2=CNC(=C2)C(=O)NC3=CN=CC=C3)F
InChI
InChI=1S/C17H11BrFN3O2/c18-12-4-1-5-13(19)15(12)16(23)10-7-14(21-8-10)17(24)22-11-3-2-6-20-9-11/h1-9,21H,(H,22,24)
InChIKey
ATKCERYALDNMPL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Erk5-IN-2
CAS: 1888305-96-1
CID: 118959080
Formula: C17H11BrFN3O2
MW: 388.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.2
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass387.00187
Monoisotopic Mass387.00187
Topological Polar Surface Area74.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity479
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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BA6443-5ERK5-IN-2
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A18871-100ERK5-IN-2 100mg
A18871-50ERK5-IN-2 50mg
A18871-25ERK5-IN-2 25mg
A18871-5ERK5-IN-2 5mg
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