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Resatorvid (TAK-242)

CAT: 0957-S7455-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0957-S7455-25mgSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
243984-11-4
Synonyms
CLI-095
Target
TLR
Applications
Immunology & Inflammation
Smiles
CCOC (=O) C1=CCCCC1S (=O) (=O) NC2=C (C=C (C=C2) F) Cl
Molecular Formula
C15H17ClFNO4S
Additionnal Information
Resatorvid (TAK-242, CLI-095) is a small-molecule-specific inhibitor of Toll-like receptor (TLR) 4 signaling, blocking LPS-induced production of NO, TNF-α and IL-6 in macrophages with IC50 of 1.8 nM, 1.9 nM and 1.3 nM, respectively. Resatorvid downregulates expression of TLR4 downstream signaling molecules MyD88 and TRIF. Resatorvid inhibits autophagy.
Storage Conditions
3 years -20°C powder

Chemical Information

Resatorvid

Resatorvid is an investigational compound designed for the treatment of severe sepsis.

CAS Number243984-11-4
PubChem CID11703255
IUPAC Nameethyl (6R)-6-[(2-chloro-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylate
Molecular FormulaC15H17ClFNO4S
Molecular Weight361.8
XLogP3
Topological Polar Surface Area80.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity560
SMILES
CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)NC2=C(C=C(C=C2)F)Cl
InChI
InChI=1S/C15H17ClFNO4S/c1-2-22-15(19)11-5-3-4-6-14(11)23(20,21)18-13-8-7-10(17)9-12(13)16/h5,7-9,14,18H,2-4,6H2,1H3/t14-/m1/s1
InChIKey
LEEIJTHMHDMWLJ-CQSZACIVSA-N
Chemical Structure
2D Structure
2D structure of Resatorvid
CAS: 243984-11-4
CID: 11703255
Formula: C15H17ClFNO4S
MW: 361.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight361.8
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass361.0550851
Monoisotopic Mass361.0550851
Topological Polar Surface Area80.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity560
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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Alternative Products

CatalogName
C12702-01Resatorvid (TAK-242)
MBS130179-01TAK-242(Resatorvid)
A3850-50TAK-242
6587/5TAK 242
MBS3840961-01TAK-242 S enantiomer
A15253-200TAK-242 S enantiomer 200mg
A15253-50TAK-242 S enantiomer 50mg
A15253-100TAK-242 S enantiomer 100mg
A15253-10TAK-242 S enantiomer 10mg
A15253-1TAK-242 S enantiomer 1mg

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