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Proteasome β2c/i-IN-1

CAT: 0013-GTR19218645-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19218645-01Size:25 mg
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Description
Proteasome β2c/i-IN-1 (compound 37) is a selective small molecule inhibitor of the human immunoproteasome subunit β2i and constitutive subunit β2c. It is a valuable research tool for studying proteasome function in immunological disorders and cancer, applicable in both in vitro biochemical and cellular assays.
CAS Number
2322333-75-3
Field of Research
Protein Biochemistry
Smiles
C ([C@@H] (NC ([C@H] (CC1=CC=C (OC) C=C1) NC ([C@@H] (NC (CN2CCOCC2) =O) C) =O) =O) CCC3CCCCC3) (=O) [C@@]4 (C) CO4
Molecular Formula
C32H48N4O7
Molecular Weight
600.75
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Proteasome |A2c/i-IN-1
CAS Number2322333-75-3
PubChem CID155553910
IUPAC Name(2S)-N-[(2S)-4-cyclohexyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxobutan-2-yl]-3-(4-methoxyphenyl)-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide
Molecular FormulaC32H48N4O7
Molecular Weight600.7
XLogP3.4
Topological Polar Surface Area139
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Heavy Atom Count43
Formal Charge0
Complexity944
SMILES
C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)OC)C(=O)N[C@@H](CCC2CCCCC2)C(=O)[C@]3(CO3)C)NC(=O)CN4CCOCC4
InChI
InChI=1S/C32H48N4O7/c1-22(33-28(37)20-36-15-17-42-18-16-36)30(39)35-27(19-24-9-12-25(41-3)13-10-24)31(40)34-26(29(38)32(2)21-43-32)14-11-23-7-5-4-6-8-23/h9-10,12-13,22-23,26-27H,4-8,11,14-21H2,1-3H3,(H,33,37)(H,34,40)(H,35,39)/t22-,26-,27-,32+/m0/s1
InChIKey
XOVCQLITIBRPQB-ZBCYONBYSA-N
Chemical Structure
2D Structure
2D structure of Proteasome |A2c/i-IN-1
CAS: 2322333-75-3
CID: 155553910
Formula: C32H48N4O7
MW: 600.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight600.7
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Exact Mass600.35229988
Monoisotopic Mass600.35229988
Topological Polar Surface Area139 Ų
Heavy Atom Count43
Formal Charge0
Complexity944
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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