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CFTR (inh) -172

CAT: 0804-HY-16671-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-16671-01Size:1 mg
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Description
CFTR (inh) -172 is a potent and selective blocker of the CFTR chloride channel; reversibly inhibits CFTR short-circuit current in less than 2 minutes with a Ki of 300 nM.
CAS Number
307510-92-5
UNSPSC
12352005
Hazard Statement
H302, H319, H372, H410
Target
Autophagy; CFTR
Type
Reference compound
Related Pathways
Autophagy; Membrane Transporter/Ion Channel
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/CFTR_inh_-172.html
Purity
99.80
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
S=C(S/1)N(C2=CC=CC(C(F)(F)F)=C2)C(C1=C\C3=CC=C(C=C3)C(O)=O)=O
Molecular Formula
C18H10F3NO3S2
Molecular Weight
409.40
Precautions
H302, H319, H372, H410
References & Citations
[1]Ma T, et al. Thiazolidinone CFTR inhibitor identified by high-throughput screening blocks cholera toxin-induced intestinal fluid secretion. J Clin Invest. 2002 Dec;110 (11) :1651-8.|[2]Taddei A, et al. Altered channel gating mechanism for CFTR inhibition by a high-affinity thiazolidinone blocker. FEBS Lett. 2004 Jan 30;558 (1-3) :52-6.
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

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

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