Lumacaftor

Base Information

Chemical Name:Lumacaftor
CAS No.:936727-05-8
Molecular Formula:C₂₄H₁₈F₂N₂O₅
Molecular Weight:452.414
Hs Code.:
European Community (EC) Number:811-416-4
UNII:EGP8L81APK
ChEMBL ID:CHEMBL2103870
DSSTox Substance ID:DTXSID30239523
Metabolomics Workbench ID:152304
NCI Thesaurus Code:C170136
Nikkaji Number:J3.299.847J
Pharos Ligand ID:D77H12SA6VK3
RXCUI:1655922
Wikidata:Q6703005
Wikipedia:Lumacaftor
Mol file:936727-05-8.mol

Synonyms:lumacaftor;VX 809;VX-809;VX809

Suppliers and Price of Lumacaftor

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

AK Scientific
VX-809
5mg
$ 49.00

American Custom Chemicals Corporation
VX-809 95.00%
250MG
$ 4115.27

American Custom Chemicals Corporation
VX-809 95.00%
1G
$ 7304.85

ApexBio Technology
VX-809
50mg
$ 466.00

Arctom
Lumacaftor(VX-809)
10mg
$ 158.00

Biosynth Carbosynth
Lumacaftor
100 mg
$ 120.00

Biosynth Carbosynth
Lumacaftor
250 mg
$ 225.00

Biosynth Carbosynth
Lumacaftor
500 mg
$ 350.00

Biosynth Carbosynth
Lumacaftor
25 mg
$ 55.00

Biosynth Carbosynth
Lumacaftor
50 mg
$ 75.00

Total 118 raw suppliers

Chemical Property of Lumacaftor

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Refractive Index:1.67
Boiling Point:653.013 °C at 760 mmHg
PKA:3.95±0.10(Predicted)
Flash Point:348.73 °C
PSA：97.75000
Density:1.517 g/cm³
LogP:4.82000
Storage Temp.:-20°C Freezer
Solubility.:DMSO (Slightly), Methanol (Slightly)
XLogP3:4.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:452.11837800
Heavy Atom Count:33
Complexity:776

Purity/Quality:

99%, ^*data from raw suppliers

VX-809 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(N=C(C=C1)NC(=O)C2(CC2)C3=CC4=C(C=C3)OC(O4)(F)F)C5=CC(=CC=C5)C(=O)O
Recent ClinicalTrials:Bioequivalence and Food Effect Bioavailability Study of Lumacaftor Film-Coated Tablets
Recent EU Clinical Trials:Mutation-specific therapy for the long QT syndrome
Uses VX 809 is used in the stabilization of the CFTR protein used in the treatment of cystic fibrosis.

Technology Process of Lumacaftor

There total 34 articles about Lumacaftor which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

: 1160221-26-0
Lumacaftor hydrochloride

: 936727-05-8
Lumacaftor

Guidance literature:: With water; at 20 ℃; for 24h; Product distribution / selectivity;

Reference yield: 98.0%

: 3-(6-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)-3-methylpyridin-2-yl)benzoic acid.HCL salt

: 936727-05-8
Lumacaftor

Guidance literature:: In water; at 20 ℃; for 24h;

Reference yield:

: 442129-37-5
6-amino-2-chloro-3-methylpyridine

: 936727-05-8
Lumacaftor

Guidance literature:: Multi-step reaction with 3 steps

1.1: pyridine / dichloromethane / 3 h / 20 °C

2.1: potassium carbonate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / water; 1,4-dioxane / 1 h / 20 °C

2.2: 4 h / 85 - 90 °C

2.3: 12 h / 20 °C

3.1: water; ethyl acetate / 5 h / 20 °C

With pyridine; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate; In 1,4-dioxane; dichloromethane; water; ethyl acetate;