Lumacaftor | CAS No. 936727-05-8

Lumacaftor

Basic Information

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CAS Number

936727-05-8

Molecular Formula

C24H18F2N2O5

Molecular Weight

452.41 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

653.013°C at 760 mmHg

Density

1.51

SMILES

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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

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)

InChIKey

UFSKUSARDNFIRC-UHFFFAOYSA-N

LogP

4.747020000000003

Topological Polar Surface Area

97.75 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

776

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

3-(6-(1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)-3-methylpyridin-2-yl)benzoic acid
VX-809 (Lumacaftor)
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-Difluorobenzo[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)-benzoicacid
3-[6-[[[1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropyl]carbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid
VX 809
VX-809
Lumacaftor
VRT 826809
VX809
EGP8L81APK
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)-cyclopr
3-[6-[[[1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropyl]carbonyl]amino]-3-methyl-2-pyridinyl]benzoic acid (ACI)
3-[6-[1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido]-3-methylpyridin-2-yl]benzoic acid
3-[6-[[[1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)cyclopropyl]carbonyl]amino]-3-methylpyridin-2-yl]benzoic acid
3-(6-(1-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamido)-3-methylpyridin-2-yl)benzoic acid
Z2235801884
Lumacaftor (VX-809)
s1565
J-690399
EX-A178
LUMACAFTOR [MI]
Q6703005
VX8
SCHEMBL377028
BCP02305
D10134
936727-05-8
VRT826809

MDL Number

MFCD16659051

FAQ

What is Lumacaftor (CAS: 936727-05-8)?

Lumacaftor is a drug used in the treatment of cystic fibrosis. Its molecular formula is C24H29NO2. It is a potent corrector of the ΔF508 mutation in cystic fibrosis transmembrane conductance regulator (CFTR) protein.

What are the main uses of Lumacaftor (CAS: 936727-05-8)?

Lumacaftor is primarily used in combination with ivacaftor to treat cystic fibrosis in patients aged 12 years and older who have at least one F508del mutation in the CFTR gene. It helps to improve lung function and reduce hospital admissions.

Is Lumacaftor (CAS: 936727-05-8) safe?

Lumacaftor is generally considered safe when used as directed. Common side effects include headache, dizziness, and nasopharyngitis. It is important to follow dosage instructions and consult a healthcare provider for any concerns. Always handle the drug with gloves and avoid contact with eyes and skin.

How should Lumacaftor (CAS: 936727-05-8) be stored?

Store Lumacaftor at 15°C to 25°C (59°F to 77°F) away from heat, moisture, and light. Keep the bottle tightly closed to prevent moisture absorption. Do not freeze. Use a child-proof container and store out of reach of children. Avoid exposure to extremes of temperature and humidity to ensure stability.