Home Carbonyls 3-(6-[[1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarbonyl]-amino]-3-methyl-pyridin-2-yl)-benzoic acid

3-(6-[[1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarbonyl]-amino]-3-methyl-pyridin-2-yl)-benzoic acid

CAS No.:
936727-05-8
Catalog Number:
AG0036SY
Molecular Formula:
C24H18F2N2O5
Molecular Weight:
452.4069
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
95%
In Stock USA
United States
$71
- +
25mg
95%
In Stock USA
United States
$123
- +
100mg
95%
In Stock USA
United States
$290
- +
250mg
95%
In Stock USA
United States
$389
- +
1g
95%
In Stock USA
United States
$676
- +
Product Description
Catalog Number:
AG0036SY
Chemical Name:
3-(6-[[1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarbonyl]-amino]-3-methyl-pyridin-2-yl)-benzoic acid
CAS Number:
936727-05-8
Molecular Formula:
C24H18F2N2O5
Molecular Weight:
452.4069
MDL Number:
MFCD16659051
IUPAC Name:
3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methylpyridin-2-yl]benzoic acid
InChI:
InChI=1S/C24H18F2N2O5/c1-13-5-8-19(27-20(13)14-3-2-4-15(11-14)21(29)30)28-22(31)23(9-10-23)16-6-7-17-18(12-16)33-24(25,26)32-17/h2-8,11-12H,9-10H2,1H3,(H,29,30)(H,27,28,31)
InChI Key:
UFSKUSARDNFIRC-UHFFFAOYSA-N
SMILES:
O=C(C1(CC1)c1ccc2c(c1)OC(O2)(F)F)Nc1ccc(c(n1)c1cccc(c1)C(=O)O)C
UNII:
EGP8L81APK
Properties
Complexity:
776  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.118g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
452.414g/mol
Monoisotopic Mass:
452.118g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
97.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Literature
Title Journal
Role of CFTR in epithelial physiology. Cellular and molecular life sciences : CMLS 20170101
Lumacaftor-ivacaftor (Orkambi) for cystic fibrosis: behind the 'breakthrough'. Evidence-based medicine 20160601
Lumacaftor and ivacaftor in the management of patients with cystic fibrosis: current evidence and future prospects. Therapeutic advances in respiratory disease 20151201
Cystic fibrosis - a multiorgan protein misfolding disease. Future science OA 20150901
A CFTR corrector (lumacaftor) and a CFTR potentiator (ivacaftor) for treatment of patients with cystic fibrosis who have a phe508del CFTR mutation: a phase 2 randomised controlled trial. The Lancet. Respiratory medicine 20140701
VX-809 corrects folding defects in cystic fibrosis transmembrane conductance regulator protein through action on membrane-spanning domain 1. Molecular biology of the cell 20131001
Mechanism-based corrector combination restores ΔF508-CFTR folding and function. Nature chemical biology 20130701
Functional rescue of a kidney anion exchanger 1 trafficking mutant in renal epithelial cells. PloS one 20130101
Ivacaftor potentiation of multiple CFTR channels with gating mutations. Journal of cystic fibrosis : official journal of the European Cystic Fibrosis Society 20120501
Cystic fibrosis transmembrane conductance regulator-modifying medications: the future of cystic fibrosis treatment. The Annals of pharmacotherapy 20120101
Cystic fibrosis transmembrane regulator protein mutations: 'class' opportunity for novel drug innovation. Paediatric drugs 20070101
Pharmacotherapy of the ion transport defect in cystic fibrosis: role of purinergic receptor agonists and other potential therapeutics. American journal of respiratory medicine : drugs, devices, and other interventions 20030101
Properties