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UK-101

CAT: 1410-M10004-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M10004-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A potent, specific immunoproteasome β1i (LMP2) subunit inhibitor with IC50 of 104 nM.
CAS Number
1000313-40-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
484.753
Molecular Formula
C25H48N2O5Si
Notes
Research use only, not for human use.
Receptor
Proteasome

Chemical Information

CID 24752894
CAS Number1000313-40-5
PubChem CID24752894
IUPAC NameN-[(2S)-1-[[(2S)-1-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]heptanamide
Molecular FormulaC25H48N2O5Si
Molecular Weight484.7
Topological Polar Surface Area97
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count16
Heavy Atom Count33
Formal Charge0
Complexity674
SMILES
CCCCCCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[C@]1(CO1)CO[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C25H48N2O5Si/c1-10-11-12-13-14-21(28)26-19(4)23(30)27-20(15-18(2)3)22(29)25(16-31-25)17-32-33(8,9)24(5,6)7/h18-20H,10-17H2,1-9H3,(H,26,28)(H,27,30)/t19-,20-,25-/m0/s1
InChIKey
OHYPIFPQEYUPDQ-RLSLOFABSA-N
Chemical Structure
2D Structure
2D structure of CID 24752894
CAS: 1000313-40-5
CID: 24752894
Formula: C25H48N2O5Si
MW: 484.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight484.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count16
Exact Mass484.33324917
Monoisotopic Mass484.33324917
Topological Polar Surface Area97 Ų
Heavy Atom Count33
Formal Charge0
Complexity674
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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