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IK-862

CAT: 0804-HY-118734-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-118734-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
IK-862 is a selective inhibitor of TACE[1].
CAS Number
478911-60-3
UNSPSC
12352005
Target
TNF Receptor
Type
Reference compound
Related Pathways
Apoptosis
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/ik-862.html
Solubility
10 mM in DMSO
Smiles
C[C@]1(C2=CC=C(C=C2)OCC3=CC(C)=NC4=C3C=CC=C4)C(N(CC1)[C@H](C)C(NO)=O)=O
Molecular Formula
C25H27N3O4
Molecular Weight
433.50
References & Citations
[1]Georgiadis D, et al. Specific targeting of metzincin family members with small-molecule inhibitors: progress toward a multifarious challenge. Bioorg Med Chem. 2008;16 (19) :8781-8794. doi:10.1016/j.bmc.2008.08.058
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide

(2R)-N-hydroxy-2-[(3S)-3-methyl-3-{4-[(2-methylquinolin-4-yl)methoxy]phenyl}-2-oxopyrrolidin-1-yl]propanamide is a hydroxamic acid, a member of quinolines and a member of pyrrolidin-2-ones.

CAS Number478911-60-3
PubChem CID6914621
IUPAC Name(2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide
Molecular FormulaC25H27N3O4
Molecular Weight433.5
XLogP3.2
Topological Polar Surface Area91.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity680
SMILES
CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)[C@@]4(CCN(C4=O)[C@H](C)C(=O)NO)C
InChI
InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1
InChIKey
YDMIPBHQKFOFQW-NSYGIPOTSA-N
Chemical Structure
2D Structure
2D structure of (2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide
CAS: 478911-60-3
CID: 6914621
Formula: C25H27N3O4
MW: 433.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight433.5
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass433.20015635
Monoisotopic Mass433.20015635
Topological Polar Surface Area91.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity680
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes