CAS 406205-74-1

3-[2-Cyano-3-(trifluoromethyl)phenoxy]phenyl 4,4,4-trifluoro-1-butanesulfonate

Description:

3-[2-Cyano-3-(trifluoromethyl)phenoxy]phenyl 4,4,4-trifluoro-1-butanesulfonate, identified by its CAS number 406205-74-1, is a synthetic organic compound characterized by its complex molecular structure, which includes multiple functional groups. This compound features a phenoxy group, which contributes to its potential as a versatile building block in organic synthesis. The presence of trifluoromethyl groups enhances its lipophilicity and may impart unique electronic properties, making it useful in various applications, including pharmaceuticals and agrochemicals. The cyano group introduces a polar character, potentially influencing solubility and reactivity. Additionally, the sulfonate moiety can enhance the compound's water solubility and reactivity in nucleophilic substitution reactions. Overall, this compound's unique combination of functional groups suggests it may exhibit interesting chemical behavior and biological activity, warranting further investigation in research and development contexts. Safety data and handling precautions should be considered due to the presence of fluorinated groups, which can pose environmental and health risks.

Formula: C₁₈H₁₃F₆NO₄S

InChI: InChI=1S/C18H13F6NO4S/c19-17(20,21)8-3-9-30(26,27)29-13-5-1-4-12(10-13)28-16-7-2-6-15(14(16)11-25)18(22,23)24/h1-2,4-7,10H,3,8-9H2

InChI key: InChIKey=LWUSZIVDPJPVBW-UHFFFAOYSA-N

SMILES: C(#N)C1=C(C(F)(F)F)C=CC=C1OC2=CC(OS(CCCC(F)(F)F)(=O)=O)=CC=C2

Synonyms:

• 1-Butanesulfonic acid, 4,4,4-trifluoro-, 3-[2-cyano-3-(trifluoromethyl)phenoxy]phenyl ester
• 3-[2-Cyano-3-(trifluoromethyl)phenoxy]phenyl 4,4,4-trifluoro-1-butanesulfonate
• Bay 59-3074
• Bay 593074
• 3-[2-Cyano-3-(trifluoromethyl)phenoxy]phenyl 4,4,4-trifluorobutane-1-sulfonate

Bay 59-3074 

CAS: 406205-74-1

Formula: C₁₈H₁₃F₆NO₄S

Purity: 98%

Molecular weight: 453.3555

Ref: IN-DA00C6KW

3-(2-Cyano-3-(Trifluoromethyl)Phenoxy)Phenyl 4,4,4-Trifluorobutane-1-Sulfonate

CAS: 406205-74-1

3-(2-Cyano-3-(Trifluoromethyl)Phenoxy)Phenyl 4,4,4-Trifluorobutane-1-Sulfonate

Purity: 98%

Molecular weight: 453.36g/mol

Ref: 54-PC108420

Bay 59-3074

CAS: 406205-74-1

Bay 59-3074

Purity: ≥95%

Molecular weight: 453.36g/mol

Ref: 54-BUP11085

Bay 59-3074

CAS: 406205-74-1

Bay 59-3074 is a CB1/CB2 receptor partial agonist (Ki: 48.3/45.5 nM).

Formula: C₁₈H₁₃F₆NO₄S

Purity: 97.68% - 99.69%

Color and Shape: Solid

Molecular weight: 453.36

Ref: TM-T3699

Bay 59-3074

CAS: 406205-74-1

Bay 59-3074 is a cannabinoid receptor agonist that binds to the CB1 receptor. It has been shown to have activity in animal models of rheumatoid arthritis and osteoarthritis, as well as neuropathic and inflammatory pain. Bay 59-3074 also has anti-inflammatory effects, which may be due to its ability to inhibit cyclooxygenase and lipoxygenase enzymes. Bay 59-3074 has been shown to be effective against symptoms of osteoarthritis in humans at doses of 2.5mg twice daily for 10 weeks. This drug also has a profile that is distinct from other cannabinoids, such as gabapentin or carbamazepine, which are used for the treatment of neuropathic pain. This drug binds with high affinity to the G protein coupled receptor CB1 and inhibits voltage gated calcium channels (VGCC).

Formula: C₁₈H₁₃F₆NO₄S

Purity: Min. 95%

Molecular weight: 453.35 g/mol

Ref: 3D-GRA20574