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Zetomipzomib

CAT: 0931-T37419-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T37419-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1629677-75-3
Target
Proteasome, Others
Related Pathways
Proteases/Proteasome, Ubiquitination, Others
Bioactivity
KZR-616, a first-in-class inhibitor of the immunoproteasome, selectively targets the LMP7 (IC50: 39/57 nM=hLMP7/mLMP7) and LMP2 (IC50: 131/179 nM=hLMP7/mLMP7) subunits of the immunoproteasome. KZR-616 has the potential for the research of multiple autoimmune diseases[1][2].
Smiles
C([C@H](CC=1CCCC1)NC([C@H]([C@H](O)C2=CC=C(OC)C=C2)NC([C@@H](NC(CN3CCOCC3)=O)C)=O)=O)(=O)[C@@]4(C)CO4
Molecular Formula
C30H42N4O8
Molecular Weight
586.68
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Zetomipzomib

Zetomipzomib is under investigation in clinical trial NCT04033926 (A Phase 2 Study of KZR-616 to Evaluate Safety and Efficacy in Patients With Active Polymyositis or Dermatomyositis).

CAS Number1629677-75-3
PubChem CID117607904
IUPAC Name(2S,3R)-N-[(2S)-3-(cyclopenten-1-yl)-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]-3-hydroxy-3-(4-methoxyphenyl)-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanamide
Molecular FormulaC30H42N4O8
Molecular Weight586.7
XLogP0.4
Topological Polar Surface Area159
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Heavy Atom Count42
Formal Charge0
Complexity1010
SMILES
C[C@@H](C(=O)N[C@@H]([C@@H](C1=CC=C(C=C1)OC)O)C(=O)N[C@@H](CC2=CCCC2)C(=O)[C@]3(CO3)C)NC(=O)CN4CCOCC4
InChI
InChI=1S/C30H42N4O8/c1-19(31-24(35)17-34-12-14-41-15-13-34)28(38)33-25(26(36)21-8-10-22(40-3)11-9-21)29(39)32-23(16-20-6-4-5-7-20)27(37)30(2)18-42-30/h6,8-11,19,23,25-26,36H,4-5,7,12-18H2,1-3H3,(H,31,35)(H,32,39)(H,33,38)/t19-,23-,25-,26+,30+/m0/s1
InChIKey
GHYOCDFICYLMRF-UTIIJYGPSA-N
Chemical Structure
2D Structure
2D structure of Zetomipzomib
CAS: 1629677-75-3
CID: 117607904
Formula: C30H42N4O8
MW: 586.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight586.7
XLogP30.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Exact Mass586.30026431
Monoisotopic Mass586.30026431
Topological Polar Surface Area159 Ų
Heavy Atom Count42
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19190637-01Zetomipzomib
HY-114419A-01Zetomipzomib (maleate)
MBS5800089Zetomipzomib maleate

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