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PR-924

CAT: 1410-M11737Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M11737Size:1 Each
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Description
A potent, specific immunoproteasome LMP7 subunit inhibitor with IC50 of 25 nM.
CAS Number
1416709-79-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
618.734
Molecular Formula
C37H38N4O5
Notes
Research use only, not for human use.
Receptor
Proteasome

Chemical Information

PR-924
CAS Number1416709-79-9
PubChem CID92135659
IUPAC NameN-[(2R)-1-[[(2S)-3-(1H-indol-3-yl)-1-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-3-methyl-1H-indene-2-carboxamide
Molecular FormulaC37H38N4O5
Molecular Weight618.7
XLogP4.5
Topological Polar Surface Area133
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count46
Formal Charge0
Complexity1200
SMILES
CC1=C(CC2=CC=CC=C12)C(=O)N[C@H](C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)[C@]6(CO6)C
InChI
InChI=1S/C37H38N4O5/c1-22-27-14-8-7-13-25(27)18-29(22)35(44)39-23(2)34(43)41-32(19-26-20-38-30-16-10-9-15-28(26)30)36(45)40-31(33(42)37(3)21-46-37)17-24-11-5-4-6-12-24/h4-16,20,23,31-32,38H,17-19,21H2,1-3H3,(H,39,44)(H,40,45)(H,41,43)/t23-,31+,32+,37-/m1/s1
InChIKey
ADBUEVSHEJICCM-LZNHGOJSSA-N
Chemical Structure
2D Structure
2D structure of PR-924
CAS: 1416709-79-9
CID: 92135659
Formula: C37H38N4O5
MW: 618.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight618.7
XLogP34.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass618.28422033
Monoisotopic Mass618.28422033
Topological Polar Surface Area133 Ų
Heavy Atom Count46
Formal Charge0
Complexity1200
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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