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Nesolicaftor (PTI-428)

CAT: 0957-S6911-1mgSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0957-S6911-1mgSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1953130-87-4
Target
CFTR
Applications
Transmembrane Transporters
Molecular Formula
C18H18N4O4
Additionnal Information
Nesolicaftor (PTI-428) is a specific cystic fibrosis transmembrane conductance regulator (CFTR) amplifier that increases CFTR expression.
Storage Conditions
3 years -20°C powder

Chemical Information

Nesolicaftor

Nesolicaftor (PTI-428) is under investigation in clinical trial NCT03258424 (Study Assessing PTI-428 Safety, Tolerability, and Pharmacokinetics in Subjects With Cystic Fibrosis on KALYDECO® as Background Therapy).

CAS Number1953130-87-4
PubChem CID121439966
IUPAC NameN-[3-[5-[(1R)-1-hydroxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide
Molecular FormulaC18H18N4O4
Molecular Weight354.4
XLogP1.4
Topological Polar Surface Area114
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity496
SMILES
C[C@H](C1=NN=C(O1)C2CC(C2)NC(=O)C3=CC(=NO3)C4=CC=CC=C4)O
InChI
InChI=1S/C18H18N4O4/c1-10(23)17-20-21-18(25-17)12-7-13(8-12)19-16(24)15-9-14(22-26-15)11-5-3-2-4-6-11/h2-6,9-10,12-13,23H,7-8H2,1H3,(H,19,24)/t10-,12?,13?/m1/s1
InChIKey
XPEHHUISIBFLHX-QFWMXSHPSA-N
Chemical Structure
2D Structure
2D structure of Nesolicaftor
CAS: 1953130-87-4
CID: 121439966
Formula: C18H18N4O4
MW: 354.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.4
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass354.13280507
Monoisotopic Mass354.13280507
Topological Polar Surface Area114 Ų
Heavy Atom Count26
Formal Charge0
Complexity496
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A20287-10PTI-428 10mg
A20287-5PTI-428 5mg
A20287-1PTI-428 1mg
A20287-10mM-DPTI-428 10mM * 1mL in DMSO
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