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IK-862

CAT: 0013-GTR19197492-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197492-01Size:1 mg
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Description
IK-862 is a potent and selective TACE inhibitor investigated for its anti-inflammatory and anticancer properties. Its application extends to research on neuritis, with studies exploring its mechanisms in both cellular and animal models of inflammatory and oncological diseases.
CAS Number
478911-60-3
Product Name Alternative
ADAM17/TACE, IK 862, IK862, IK-862
Field of Research
Cell Biology, Protein Biochemistry
Purity
97.75% (May vary between batches)
Smiles
C[C@@]1 (C (=O) N ([C@@H] (C (NO) =O) C) CC1) C2=CC=C (OCC=3C4=C (N=C (C) C3) C=CC=C4) C=C2
Molecular Formula
C25H27N3O4
Molecular Weight
433.5
Storage Conditions
-20°C
Notes
For research use only.

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...
View on PubChemRaw 3D data
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

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