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FR-217840

CAT: 0013-GTR19197576-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197576-02Size:50 mg
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Description
FR-217840 is a novel matrix metalloproteinase (MMP) inhibitor shown to suppress joint destruction in arthritis models. Its efficacy in both in vitro enzymatic assays and in vivo animal studies highlights its potential as a therapeutic candidate for rheumatoid arthritis research.
CAS Number
848444-16-6
Smiles
S (=O) (=O) (N1[C@H] (C (NO) =O) CN (S (C) (=O) =O) CC1) C=2SC (=CC2) C3=CC=C (F) C=C3
Molecular Formula
C16H18FN3O6S3
Molecular Weight
463.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Piperazinecarboxamide, 1-((5-(4-fluorophenyl)-2-thienyl)sulfonyl)-N-hydroxy-4-(methylsulfonyl)-, (2S)-
CAS Number848444-16-6
PubChem CID11488072
IUPAC Name(2S)-1-[5-(4-fluorophenyl)thiophen-2-yl]sulfonyl-N-hydroxy-4-methylsulfonylpiperazine-2-carboxamide
Molecular FormulaC16H18FN3O6S3
Molecular Weight463.5
XLogP0.8
Topological Polar Surface Area169
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity805
SMILES
CS(=O)(=O)N1CCN([C@@H](C1)C(=O)NO)S(=O)(=O)C2=CC=C(S2)C3=CC=C(C=C3)F
InChI
InChI=1S/C16H18FN3O6S3/c1-28(23,24)19-8-9-20(13(10-19)16(21)18-22)29(25,26)15-7-6-14(27-15)11-2-4-12(17)5-3-11/h2-7,13,22H,8-10H2,1H3,(H,18,21)/t13-/m0/s1
InChIKey
YFWUVSPVKPCLSA-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of 2-Piperazinecarboxamide, 1-((5-(4-fluorophenyl)-2-thienyl)sulfonyl)-N-hydroxy-4-(methylsulfonyl)-, (2S)-
CAS: 848444-16-6
CID: 11488072
Formula: C16H18FN3O6S3
MW: 463.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight463.5
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass463.03417699
Monoisotopic Mass463.03417699
Topological Polar Surface Area169 Ų
Heavy Atom Count29
Formal Charge0
Complexity805
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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