Clofoctol

Category	SARS-CoV
CAS	37693-01-9
Description	Clofoctol is a bacteriostatic antibiotic used to against gram-positive bacteria.

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Synonyms	2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;
IUPAC Name	2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
Molecular Weight	365.34
Molecular Formula	C21H26Cl2O
Canonical SMILES	CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)CC2=C(C=C(C=C2)Cl)Cl
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
Boiling Point	447.7°C at 760 mmHg
Melting Point	78°
Flash Point	160.4°C
Purity	≥98%
Density	1.127 g/cm3
Solubility	Soluble in DMSO
Appearance	Solid powder
Application	A bacteriostatic antibiotic
Shelf Life	As supplied, 2 years from the QC date provided on the Certificate of Analysis, when stored properly
Storage	Store at -20 °C
Complexity	401
Exact Mass	364.1360708
Index Of Refraction	1.555
In Vitro	Clofoctol (0-100 μM; 72 h) inhibits prostate cancer cell growth. Clofoctol (0-20 μM; 24 h) arrests cell cycle at G1 phase. Clofoctol (0-30 μM; 0-24 h) induces ER stress and activates UPR pathways. Clofoctol (0-40 μM; 24 h) inhibits translation. Clofoctol (0-100 μM; 24 h) shows antiviral effect against SARS-CoV-2 with IC50s of 9.3 μM and 11.59 μM in Vero-81 and Vero- 81-TMPRSS2 cells, respectively.
In Vivo	Clofoctol (0-100 μM; 72 h) inhibits prostate cancer cell growth.
PSA	20.23000
Target	Bacterial; SARS-CoV; Antibiotic
XLogP3-AA	8.1