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VX-809 (Lumacaftor) - ≥98%, high purity , Cystic fibrosis transmembrane conductance regulator stabiliser, CAS No.936727-05-8, Cystic fibrosis transmembrane conductance regulator stabiliser
Basic Description Synonyms Lumacaftor|936727-05-8|VX-809|VX809|VX 809|3-(6-(1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)-3-methylpyridin-2-yl)benzoic acid|VRT-826809|VRT 826809|VX-809 (Lumacaftor)|EGP8L81APK|3-(6-{[1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopro Specifications & Purity ≥98% Storage Temp Store at -20°C Shipped In Dry ice Grade Moligand™ Action Type STABILISER Mechanism of action Cystic fibrosis transmembrane conductance regulator stabiliser Product Description VX-809 (Lumacaftor) acts to correct CFTR mutations common in cystic fibrosis by increasing mutant CFTR (F508del-CFTR) maturation,EC50 of 0.1 μM.
Names and Identifiers 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 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 Isomeric 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 PubChem CID 16678941 Molecular Weight 452.41
Chemical and Physical Properties Solubility DMSO 91 mg/mL Water <1 mg/mL Ethanol 6 mg/mL
Safety and Hazards(GHS) Pictogram(s) GHS06 , GHS08 , GHS05 , GHS07 Signal Danger Hazard Statements H301: Toxic if swallowed
H318: Causes serious eye damage
H312: Harmful in contact with skin
H372: Causes damage to organs through prolonged or repeated exposure
H360: May damage fertility or the unborn child
Precautionary Statements P280: Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352: IF ON SKIN: wash with plenty of water.
P321: Specific treatment (see ... on this label).
P405: Store locked up.
P501: Dispose of contents/container to ...
P264: Wash hands [and …] thoroughly after handling.
P260: Do not breathe dust/fume/gas/mist/vapors/spray.
P270: Do not eat, drink or smoke when using this product.
P362+P364: Take off contaminated clothing and wash it before reuse.
P330: Rinse mouth.
P203: Obtain, read and follow all safety instructions before use.
P264+P265: Wash hands [and …] thoroughly after handling. Do not touch eyes.
P301+P316: IF SWALLOWED: Get emergency medical help immediately.
P305+P354+P338: IF IN EYES: Immediately rinse with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing.
P318: if exposed or concerned, get medical advice.
P317: Get emergency medical help.
P319: Get medical help if you feel unwell.
References 1. Okiyoneda T, Veit G, Dekkers JF, Bagdany M, Soya N, Xu H, Roldan A, Verkman AS, Kurth M, Simon A et al. . (2013) Mechanism-based corrector combination restores ΔF508-CFTR folding and function.. Nat Chem Biol, 9 (7): (444-54). [PMID:23666117 ] 2. Ren HY, Grove DE, De La Rosa O, Houck SA, Sopha P, Van Goor F, Hoffman BJ, Cyr DM. (2013) VX-809 corrects folding defects in cystic fibrosis transmembrane conductance regulator protein through action on membrane-spanning domain 1.. Mol Biol Cell, 24 (19): (3016-24). [PMID:23924900 ] 3. Fiedorczuk K, Chen J. (2022) Mechanism of CFTR correction by type I folding correctors.. Cell, 185 (1): (158-168.e11). [PMID:34995514 ]
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