4-(4-Chlorophenyl)-3-methylbut-3-EN-2-oxime

Base Information

• Chemical Name: 4-(4-Chlorophenyl)-3-methylbut-3-EN-2-oxime
• CAS No.: 55224-94-7
• Molecular Formula: C11H12ClNO
• Molecular Weight: 209.67
• European Community (EC) Number: 637-227-5
• Pharos Ligand ID: 243H7FX2PBJH
• ChEMBL ID: CHEMBL593902
• Mol file: 55224-94-7.mol

Synonyms:4-(4-chlorophenyl)-3-methylbut-3-en-2-oxime;AP-18 compound

Chemical Property of 4-(4-Chlorophenyl)-3-methylbut-3-EN-2-oxime

Chemical Property:

• PSA: 32.59000
• LogP: 3.59340
• Storage Temp.: 2-8°C
• Solubility.: DMSO: >10mg/mL
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 209.0607417
• Heavy Atom Count: 14
• Complexity: 240

Purity/Quality:

98%,99%, ^*data from raw suppliers

AP-18 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC1=CC=C(C=C1)Cl)C(=NO)C
• Isomeric SMILES: C/C(=C\C1=CC=C(C=C1)Cl)/C(=N/O)/C
• Description: AP-18 is a channel blocker which reversibly inhibits TRPA1 (IC50s = 3.1 and 4.5 μM, human and mouse, respectively). It has minimal effect on TRPV1-4 or TRPM8. AP-18 has been used to study TRPA1 signaling in mice and rats as well as in vitro.
• Uses: AP-18 is a selective TRPA1 channel blocker. AP-18 blocks the transient receptor potential ankyrin 1 receptors and can reduce chronic pain associated with arthritis. AP-18 reduces cinnamaldehyde-induced nociception in vivo and blocks cold- and mustard oil-induced activation of mouse TRPA1 but not capsaicin-induced activation. AP-18 reverses CFA-induced mechanical hyperalgesia in mice AP-18 is a channel blocker that inhibits TRPA1.