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Ceapin-A7

CAT: 0013-GTR19155849-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155849-02Size:500 mg
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Description
Ceapin-A7 is a selective blocker of ATF6α signaling in response to ER stress, with an IC50 of 0.59 μM. Ceapin-A7 can be used to explore both the mechanism of activation of ATF6α and its role in pathological settings.
CAS Number
2323027-38-7
Purity
>98% (HPLC)
Solubility
DMSO:100 mg/mL (212.62 mM; Need ultrasonic)
Smiles
O=C (NC1=CN (CC2=CC=C (C (F) (F) F) C=C2C (F) (F) F) N=C1) C3=NOC (C4=CC=CO4) =C3
Molecular Formula
C20H12F6N4O3
Molecular Weight
470.32
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

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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