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EAI001

CAT: 0804-HY-100214-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-100214-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
EAI001 is a potent, selective mutant epidermal growth factor receptor (EGFR) allosteric inhibitor with an IC50 value of 24 nM for EGFRL858R/T790M. EAI001 can be used for research of cancer[1][2].
CAS Number
892772-75-7
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
EGFR
Type
Reference compound
Related Pathways
JAK/STAT Signaling; Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/eai001.html
Purity
99.88
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(C(C1=CC=CC=C1)N2C(C(C=CC=C3)=C3C2)=O)NC4=NC=CS4
Molecular Formula
C19H15N3O2S
Molecular Weight
349.41
Precautions
H302, H315, H319, H335
References & Citations
[1]Maity S, et, al. Advances in targeting EGFR allosteric site as anti-NSCLC therapy to overcome the drug resistance. Pharmacol Rep. 2020 Aug;72 (4) :799-813.|[2]Tinivella A, et, al. Investigating the selectivity of allosteric inhibitors for mutant t790m egfr over wild type using molecular dynamics and binding free energy calculations. 2018 Dec 4;3 (12) :16556-62.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-(1-oxoisoindolin-2-yl)-2-phenyl-N-(thiazol-2-yl)acetamide
CAS Number892772-75-7
PubChem CID45370166
IUPAC Name2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
Molecular FormulaC19H15N3O2S
Molecular Weight349.4
XLogP2.9
Topological Polar Surface Area90.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity509
SMILES
C1C2=CC=CC=C2C(=O)N1C(C3=CC=CC=C3)C(=O)NC4=NC=CS4
InChI
InChI=1S/C19H15N3O2S/c23-17(21-19-20-10-11-25-19)16(13-6-2-1-3-7-13)22-12-14-8-4-5-9-15(14)18(22)24/h1-11,16H,12H2,(H,20,21,23)
InChIKey
PWRVRDCBFYLYFU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(1-oxoisoindolin-2-yl)-2-phenyl-N-(thiazol-2-yl)acetamide
CAS: 892772-75-7
CID: 45370166
Formula: C19H15N3O2S
MW: 349.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight349.4
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass349.08849790
Monoisotopic Mass349.08849790
Topological Polar Surface Area90.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity509
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

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