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Clofoctol

CAT: 0804-HY-B1150-03Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B1150-03Size:500 mg
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Description
Clofoctol is a bacteriostatic antibiotic. Clofoctol is used in the treatment of respiratory tract and ear, nose and throat infections caused by Gram-positive bacteria. Clofoctol is only functional against Gram-positive bacteria and can penetrate into human lung tissue. Clofoctol is also an inhibitor of prostate cancer. Clofoctol has antiviral potency[1][2][3].
CAS Number
37693-01-9
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Antibiotic; Bacterial; SARS-CoV
Type
Natural Products
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Cancer; Infection
Assay Protocol
https://www.medchemexpress.com/Clofoctol.html
Purity
99.93
Solubility
DMSO : 100 mg/mL (ultrasonic) |H2O : < 0.1 mg/mL
Smiles
OC1=CC=C(C(C)(C)CC(C)(C)C)C=C1CC2=CC=C(Cl)C=C2Cl
Molecular Formula
C21H26Cl2O
Molecular Weight
365.34
Precautions
H302, H315, H319, H335
References & Citations
[1]Ghilardi PL, et al. Treatment of ear, nose and throat infections with clofoctol. Drugs Exp Clin Res. 1985;11 (11) :815-8.|[2]Wang M, et al. Identification of an old antibiotic clofoctol as a novel activator of unfolded protein response pathways and an inhibitor of prostate cancer. Br J Pharmacol. 2014 Oct;171 (19) :4478-89.|[3]Belouzard S, et al. Clofoctol inhibits SARS-CoV-2 replication and reduces lung pathology in mice. PLoS Pathog. 2022 May 19;18 (5) :e1010498.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
Launched

Chemical Information

Clofoctol

2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol is a diarylmethane.

CAS Number37693-01-9
PubChem CID2799
IUPAC Name2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
Molecular FormulaC21H26Cl2O
Molecular Weight365.3
XLogP8.1
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity401
SMILES
CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)CC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C21H26Cl2O/c1-20(2,3)13-21(4,5)16-7-9-19(24)15(11-16)10-14-6-8-17(22)12-18(14)23/h6-9,11-12,24H,10,13H2,1-5H3
InChIKey
HQVZOORKDNCGCK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Clofoctol
CAS: 37693-01-9
CID: 2799
Formula: C21H26Cl2O
MW: 365.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight365.3
XLogP38.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass364.1360708
Monoisotopic Mass364.1360708
Topological Polar Surface Area20.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity401
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA1017-100Clofoctol
A17395-500Clofoctol 500mg
A17395-100Clofoctol 100mg
A17395-10mM-DClofoctol 10mM * 1mL in DMSO

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