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Eeyarestatin I

CAT: 0931-T27240-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T27240-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
412960-54-4
Target
P97, Apoptosis
Related Pathways
Ubiquitination, Apoptosis
Purity
0.9901
Bioactivity
Eeyarestatin I is an inhibitor that inhibits the degradation and translocation of ER-associated proteins. Eeyarestatin I is associated with the p97 deubiquitination process and inhibits atx3 deubiquitination. Eeyarestatin I has anticancer effects by inducing proteins that cause cell death.
Smiles
CC1(C)C(N(O)C(=O)Nc2ccc(Cl)cc2)N(C(=O)N1CC(=O)N\N=C\C=C\c1ccc(o1)[N+]([O-])=O)c1ccc(Cl)cc1
Molecular Formula
C27H25Cl2N7O7
Molecular Weight
630.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Eeyarestatin I
CAS Number412960-54-4
PubChem CID5003929
IUPAC Name2-[3-(4-chlorophenyl)-4-[(4-chlorophenyl)carbamoyl-hydroxyamino]-5,5-dimethyl-2-oxoimidazolidin-1-yl]-N-[3-(5-nitrofuran-2-yl)prop-2-enylideneamino]acetamide
Molecular FormulaC27H25Cl2N7O7
Molecular Weight630.4
XLogP4.2
Topological Polar Surface Area177
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count43
Formal Charge0
Complexity1090
SMILES
CC1(C(N(C(=O)N1CC(=O)NN=CC=CC2=CC=C(O2)[N+](=O)[O-])C3=CC=C(C=C3)Cl)N(C(=O)NC4=CC=C(C=C4)Cl)O)C
InChI
InChI=1S/C27H25Cl2N7O7/c1-27(2)24(35(40)25(38)31-19-9-5-17(28)6-10-19)34(20-11-7-18(29)8-12-20)26(39)33(27)16-22(37)32-30-15-3-4-21-13-14-23(43-21)36(41)42/h3-15,24,40H,16H2,1-2H3,(H,31,38)(H,32,37)
InChIKey
JTUXTPWYZXWOIB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Eeyarestatin I
CAS: 412960-54-4
CID: 5003929
Formula: C27H25Cl2N7O7
MW: 630.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight630.4
XLogP34.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass629.1192516
Monoisotopic Mass629.1192516
Topological Polar Surface Area177 Ų
Heavy Atom Count43
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count2
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
B7535-5Eeyarestatin I

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