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CFTRinh-172

CAT: 0607-B1435-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B1435-50Size:50 mg
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Description
CFTR inhibitor, highly potent and selective
CAS Number
307510-92-5
Product Name Alternative
4-[(E)-[4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
Field of Research
Membrane Transporter Ion Channel CFTR
Purity
0.9846
Solubility
≥40.9 mg/mL in DMSO; insoluble in H2O; insoluble in EtOH
Smiles
C1=CC(=CC(=C1)N2C(=O)C(=CC3=CC=C(C=C3)C(=O)O)SC2=S)C(F)(F)F
Molecular Formula
C18H10F3NO3S2
Molecular Weight
409.4
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

CFTR(inh)-172

CFTRinh-172 is a thiazolidinone that is 2-thioxo-4-thiazolidinone which is substituted at position 3 by a (m--trifluoromethyl)phenyl group and at position 5 by a p-carboxybenzylidene group. It is an inhibitor of cystic fibrosis transmembrane conductance regulator, a membrane protein and chloride channel in vertebrates that is encoded by the CFTR gene. It has a role as an EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor. It is a member of benzoic acids, a thiazolidinone and a member of (trifluoromethyl)benzenes.

CAS Number307510-92-5
PubChem CID504670
IUPAC Name4-[[4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
Molecular FormulaC18H10F3NO3S2
Molecular Weight409.4
XLogP4.9
Topological Polar Surface Area115
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity657
SMILES
C1=CC(=CC(=C1)N2C(=O)C(=CC3=CC=C(C=C3)C(=O)O)SC2=S)C(F)(F)F
InChI
InChI=1S/C18H10F3NO3S2/c19-18(20,21)12-2-1-3-13(9-12)22-15(23)14(27-17(22)26)8-10-4-6-11(7-5-10)16(24)25/h1-9H,(H,24,25)
InChIKey
JIMHYXZZCWVCMI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CFTR(inh)-172
CAS: 307510-92-5
CID: 504670
Formula: C18H10F3NO3S2
MW: 409.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.4
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass409.00542001
Monoisotopic Mass409.00542001
Topological Polar Surface Area115 Ų
Heavy Atom Count27
Formal Charge0
Complexity657
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
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C5712-100DG-172 (hydrochloride)
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C5712-5.1DG-172 (hydrochloride)
BA7689-100UC-1728
BA7689-50UC-1728
BA7689-10UC-1728
B8901-10SRT 1720
BA7689-25UC-1728

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MBS576384CFTRinh-172
MBS130078-01CFTRinh 172
A12897-10CFTRinh-172 10mg
A12897-100CFTRinh-172 100mg
A12897-50CFTRinh-172 50mg
A12897-25CFTRinh-172 25mg
A12897-5CFTRinh-172 5mg
A12897-2CFTRinh-172 2mg
A12897-1CFTRinh-172 1mg
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