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JBIR-22

CAT: 0013-GTR19208180-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208180-02Size:50 mg
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Description
JBIR-22 is a small molecule that selectively inhibits the homodimerization of proteasome assembly factor 3 (PSMD3), disrupting proteasome biogenesis. This tool compound is valuable for in vitro studies investigating proteasome assembly mechanisms and cellular protein homeostasis, offering insights into potential therapeutic strategies targeting protein degradation pathways.
CAS Number
1219095-76-7
Field of Research
Protein Biochemistry
Smiles
C (\O) (/[C@@H]1[C@@]2 ([C@@] (C=C[C@@H]1C) (CCCC2) [H]) [H]) =C/3\C (=O) [C@H] (C[C@] (C (C) C) (C (O) =O) O) N (C) C3=O
Molecular Formula
C23H33NO6
Molecular Weight
419.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 122219271
CAS Number1219095-76-7
PubChem CID122219271
IUPAC Name(2S)-2-[[(2S,4E)-4-[[(1S,2S,4aR,8aS)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-hydroxymethylidene]-1-methyl-3,5-dioxopyrrolidin-2-yl]methyl]-2-hydroxy-3-methylbutanoic acid
Molecular FormulaC23H33NO6
Molecular Weight419.5
XLogP4
Topological Polar Surface Area115
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity800
SMILES
C[C@H]1C=C[C@H]2CCCC[C@@H]2[C@H]1/C(=C\3/C(=O)[C@@H](N(C3=O)C)C[C@](C(C)C)(C(=O)O)O)/O
InChI
InChI=1S/C23H33NO6/c1-12(2)23(30,22(28)29)11-16-19(25)18(21(27)24(16)4)20(26)17-13(3)9-10-14-7-5-6-8-15(14)17/h9-10,12-17,26,30H,5-8,11H2,1-4H3,(H,28,29)/b20-18+/t13-,14+,15-,16-,17-,23-/m0/s1
InChIKey
DIFKWHRMEGFLSD-VKGVOXGZSA-N
Chemical Structure
2D Structure
2D structure of CID 122219271
CAS: 1219095-76-7
CID: 122219271
Formula: C23H33NO6
MW: 419.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight419.5
XLogP34
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass419.23078777
Monoisotopic Mass419.23078777
Topological Polar Surface Area115 Ų
Heavy Atom Count30
Formal Charge0
Complexity800
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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