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Ceapin-A7

CAT: 0957-E1099-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0957-E1099-02Size:25 mg
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Description
Ceapin-A7 is a selective and highly potent inhibitor of the ATF6α, which can activate the response to ER stress, with IC50 of 0.59 μM.
CAS Number
2323027-38-7
Target
ATF-6
Activity
ER stress & UPR
Molecular Formula
C20H12F6N4O3
Storage Conditions
3 years -20°C powder

Chemical Information

Ceapin-A7
CAS Number2323027-38-7
PubChem CID154730128
IUPAC NameN-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
Molecular FormulaC20H12F6N4O3
Molecular Weight470.3
XLogP4
Topological Polar Surface Area86.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity694
SMILES
C1=COC(=C1)C2=CC(=NO2)C(=O)NC3=CN(N=C3)CC4=C(C=C(C=C4)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C20H12F6N4O3/c21-19(22,23)12-4-3-11(14(6-12)20(24,25)26)9-30-10-13(8-27-30)28-18(31)15-7-17(33-29-15)16-2-1-5-32-16/h1-8,10H,9H2,(H,28,31)
InChIKey
UJTDYOXTXGBHEG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ceapin-A7
CAS: 2323027-38-7
CID: 154730128
Formula: C20H12F6N4O3
MW: 470.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.3
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass470.08135923
Monoisotopic Mass470.08135923
Topological Polar Surface Area86.1 Ų
Heavy Atom Count33
Formal Charge0
Complexity694
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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