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GI-129471

CAT: 0013-GTR19208366-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208366-01Size:25 mg
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Description
GI-129471 is a small molecule inhibitor of metalloproteinase that effectively suppresses TNF-α secretion. It is utilized in both in vitro and in vivo research to study inflammatory pathways, autoimmune diseases, and conditions involving dysregulated TNF-α production.
CAS Number
130370-59-1
Smiles
[C@@H] ([C@H] (CSC1=CC=CC=C1) C (NO) =O) (C (N[C@@H] (CC2=CC=CC=C2) C (NC) =O) =O) CC (C) C
Molecular Formula
C25H33N3O4S
Molecular Weight
471.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

GI 129471

metalloprotease inhibitor that blocks TNF-alpha secretion; structure given in first source

CAS Number130370-59-1
PubChem CID5748217
IUPAC Name(2S,3R)-N-hydroxy-N'-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-(2-methylpropyl)-2-(phenylsulfanylmethyl)butanediamide
Molecular FormulaC25H33N3O4S
Molecular Weight471.6
XLogP3.5
Topological Polar Surface Area133
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count33
Formal Charge0
Complexity619
SMILES
CC(C)C[C@H]([C@H](CSC1=CC=CC=C1)C(=O)NO)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC
InChI
InChI=1S/C25H33N3O4S/c1-17(2)14-20(21(24(30)28-32)16-33-19-12-8-5-9-13-19)23(29)27-22(25(31)26-3)15-18-10-6-4-7-11-18/h4-13,17,20-22,32H,14-16H2,1-3H3,(H,26,31)(H,27,29)(H,28,30)/t20-,21+,22+/m1/s1
InChIKey
UBFGIEDUTRCMEQ-FSSWDIPSSA-N
Chemical Structure
2D Structure
2D structure of GI 129471
CAS: 130370-59-1
CID: 5748217
Formula: C25H33N3O4S
MW: 471.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight471.6
XLogP33.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass471.21917772
Monoisotopic Mass471.21917772
Topological Polar Surface Area133 Ų
Heavy Atom Count33
Formal Charge0
Complexity619
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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