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AGG-523

CAT: 0013-GTR19212368-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212368-02Size:50 mg
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Description
AGG-523 is a selective aggrecanase inhibitor shown to reduce ARG-aggrecan fragment release in a rat meniscal tear model. This suggests its potential application in research focused on slowing post-traumatic cartilage degradation, supporting investigations into osteoarthritis mechanisms and therapeutic strategies in both in vivo and in vitro settings.
CAS Number
920289-29-8
Field of Research
Protein Biochemistry
Smiles
C (N[C@H] (C (NC (CC1=CC=C (F) C=C1) (C) C) =O) CCC (O) =O) (=O) C2=CC=C (C=C2) C3=CC=CC=C3
Molecular Formula
C28H29FN2O4
Molecular Weight
476.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Agg-523

AGG-523 is under investigation in clinical trial NCT00380900 (Study Evaluating the Safety, Tolerability, Pharmacokinetics and Pharmacodynamics of Multiple Ascending Doses in Healthy subjects and in subjects with osteoarthritis).

CAS Number920289-29-8
PubChem CID16048422
IUPAC Name(4S)-5-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]-5-oxo-4-[(4-phenylbenzoyl)amino]pentanoic acid
Molecular FormulaC28H29FN2O4
Molecular Weight476.5
XLogP4.7
Topological Polar Surface Area95.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count35
Formal Charge0
Complexity706
SMILES
CC(C)(CC1=CC=C(C=C1)F)NC(=O)[C@H](CCC(=O)O)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C28H29FN2O4/c1-28(2,18-19-8-14-23(29)15-9-19)31-27(35)24(16-17-25(32)33)30-26(34)22-12-10-21(11-13-22)20-6-4-3-5-7-20/h3-15,24H,16-18H2,1-2H3,(H,30,34)(H,31,35)(H,32,33)/t24-/m0/s1
InChIKey
JWQMTWCFNZSLNR-DEOSSOPVSA-N
Chemical Structure
2D Structure
2D structure of Agg-523
CAS: 920289-29-8
CID: 16048422
Formula: C28H29FN2O4
MW: 476.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.5
XLogP34.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass476.21113557
Monoisotopic Mass476.21113557
Topological Polar Surface Area95.5 Ų
Heavy Atom Count35
Formal Charge0
Complexity706
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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