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DFBTA

CAT: 0804-HY-146334-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-146334-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DFBTA is an orally active, potent and little brain penetrated ANO1 (Calcium-activated chloride channel anoctamin-1) inhibitor, with an IC50 of 24 nM. DFBTA shows analgesic efficacy for inflammatory pain[1].
CAS Number
2966044-07-3
UNSPSC
12352005
Target
Chloride Channel
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/dfbta.html
Purity
99.25
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(C3=C(C=CC(F)=C3)F)=O)O
Molecular Formula
C18H10ClF2NO3S
Molecular Weight
393.79
References & Citations
[1]Wang Y, et al. Optimization of 4-arylthiophene-3-carboxylic acid derivatives as inhibitors of ANO1: Lead optimization studies toward their analgesic efficacy for inflammatory pain. Eur J Med Chem. 2022 Jul 5;237:114413.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Dfbta
CAS Number2966044-07-3
PubChem CID163409120
IUPAC Name4-(4-chlorophenyl)-2-[(2,5-difluorobenzoyl)amino]thiophene-3-carboxylic acid
Molecular FormulaC18H10ClF2NO3S
Molecular Weight393.8
XLogP5.3
Topological Polar Surface Area94.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity533
SMILES
C1=CC(=CC=C1C2=CSC(=C2C(=O)O)NC(=O)C3=C(C=CC(=C3)F)F)Cl
InChI
InChI=1S/C18H10ClF2NO3S/c19-10-3-1-9(2-4-10)13-8-26-17(15(13)18(24)25)22-16(23)12-7-11(20)5-6-14(12)21/h1-8H,(H,22,23)(H,24,25)
InChIKey
RZXHOVMOLRFUCA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dfbta
CAS: 2966044-07-3
CID: 163409120
Formula: C18H10ClF2NO3S
MW: 393.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.8
XLogP35.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass393.0037984
Monoisotopic Mass393.0037984
Topological Polar Surface Area94.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity533
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA6635-10DFBTA

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