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EphA2 agonist 1

CAT: 0804-HY-147637-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-147637-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
EphA2 agonist 1 (Compound 7bg) is a potent EphA2 receptor agonist. EphA2 agonist 1 shows great potency and selectivity toward EphA2 overexpressed glioblastoma cells and stimulates EphA2 phosphorylation[1].
CAS Number
2611459-57-3
UNSPSC
12352005
Target
Ephrin Receptor
Type
Reference compound
Related Pathways
Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/epha2-agonist-1.html
Purity
99.32
Solubility
DMSO : ≥ 50 mg/mL
Smiles
COC1=C(C=C2C(N=C(N=C2N)N3CCN(CC3)C(C4=CC(NC(OCCOCCOCCOC(NC5=CC=CC(C(N6CCN(CC6)C7=NC8=CC(OC)=C(C=C8C(N)=N7)OC)=O)=C5)=O)=O)=CC=C4)=O)=C1)OC
Molecular Formula
C50H58N12O12
Molecular Weight
1019.07
References & Citations
[1]Orahoske CM, et al. Dimeric small molecule agonists of EphA2 receptor inhibit glioblastoma cell growth. Bioorg Med Chem. 2020 Sep 15;28 (18) :115656.
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

EphA2 agonist 1
CAS Number2611459-57-3
PubChem CID162645843
IUPAC Name2-[2-[2-[[3-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-carbonyl]phenyl]carbamoyloxy]ethoxy]ethoxy]ethyl N-[3-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-carbonyl]phenyl]carbamate
Molecular FormulaC50H58N12O12
Molecular Weight1019.1
XLogP3.7
Topological Polar Surface Area283
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count20
Rotatable Bond Count21
Heavy Atom Count74
Formal Charge0
Complexity1660
SMILES
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)NC(=O)OCCOCCOCCOC(=O)NC5=CC=CC(=C5)C(=O)N6CCN(CC6)C7=NC8=CC(=C(C=C8C(=N7)N)OC)OC)N)OC
InChI
InChI=1S/C50H58N12O12/c1-67-39-27-35-37(29-41(39)69-3)55-47(57-43(35)51)61-15-11-59(12-16-61)45(63)31-7-5-9-33(25-31)53-49(65)73-23-21-71-19-20-72-22-24-74-50(66)54-34-10-6-8-32(26-34)46(64)60-13-17-62(18-14-60)48-56-38-30-42(70-4)40(68-2)28-36(38)44(52)58-48/h5-10,25-30H,11-24H2,1-4H3,(H,53,65)(H,54,66)(H2,51,55,57)(H2,52,56,58)
InChIKey
GMPGUKZZIIPCEZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of EphA2 agonist 1
CAS: 2611459-57-3
CID: 162645843
Formula: C50H58N12O12
MW: 1019.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1019.1
XLogP33.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count20
Rotatable Bond Count21
Exact Mass1018.42971533
Monoisotopic Mass1018.42971533
Topological Polar Surface Area283 Ų
Heavy Atom Count74
Formal Charge0
Complexity1660
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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