936727-05-8 | 3-(6-[[1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarbonyl]-amino]-3-methyl-pyridin-2-yl)-benzoic acid

Packsize	Purity	Availability	Price	Discounted Price
1mg	98%	in stock	$6.00	$4.00
5mg	98%	in stock	$8.00	$6.00
100mg	98%	in stock	$30.00	$21.00
250mg	98%	in stock	$46.00	$33.00
1g	98%	in stock	$110.00	$77.00
5g	98%	in stock	$385.00	$270.00
25g	98%	in stock	$1,338.00	$937.00

Description

• Catalog Number: AB48586
• 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
• SMILES: O=C(C1(CC1)c1ccc2c(c1)OC(O2)(F)F)Nc1ccc(c(n1)c1cccc(c1)C(=O)O)C

Computed Properties

• Complexity: 776
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 33
• Hydrogen Bond Acceptor Count: 8
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 5
• XLogP3: 4.4

Literature

• 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