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IK-862

CAT: 0931-T27592-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T27592-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
478911-60-3
Target
TNF, MMP
Related Pathways
Apoptosis, Proteases/Proteasome
Purity
0.9872
Bioactivity
IK-862 is a selective inhibitor of TACE (ADAM17) .
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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