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IU1

CAT: 0931-T6107-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T6107-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
314245-33-5
Target
Autophagy, DUB
Related Pathways
Ubiquitination, Cell Cycle/Checkpoint, DNA Damage/DNA Repair, Autophagy
Purity
0.993
Bioactivity
IU1 (IC50=4.7 μ M), a reversible, specific human USP14 proteasome inhibitor, can penetrate the cell.
Smiles
O=C(C=1C=C(N(C2=CC=C(F)C=C2)C1C)C)CN3CCCC3
Molecular Formula
C18H21FN2O
Molecular Weight
300.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-(1-(4-Fluorophenyl)-2,5-dimethylpyrrol-3-yl)-2-pyrrolidin-1-ylethanone

IU1 is an organic molecular entity. It has a role as an EC 3.4.19.* (omega-peptidase) inhibitor.

CAS Number314245-33-5
PubChem CID675434
IUPAC Name1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone
Molecular FormulaC18H21FN2O
Molecular Weight300.4
XLogP3.5
Topological Polar Surface Area25.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity389
SMILES
CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)CN3CCCC3
InChI
InChI=1S/C18H21FN2O/c1-13-11-17(18(22)12-20-9-3-4-10-20)14(2)21(13)16-7-5-15(19)6-8-16/h5-8,11H,3-4,9-10,12H2,1-2H3
InChIKey
JUWDSDKJBMFLHE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(1-(4-Fluorophenyl)-2,5-dimethylpyrrol-3-yl)-2-pyrrolidin-1-ylethanone
CAS: 314245-33-5
CID: 675434
Formula: C18H21FN2O
MW: 300.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.4
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass300.16379146
Monoisotopic Mass300.16379146
Topological Polar Surface Area25.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity389
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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