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Phenol esters

Organic compounds that consist of a phenyl ring with an ester functional group substitution; ester functional groups contain an oxygen atom bonded to a carbonyl group subsequently bonded to a methyl group.

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1

Otenaproxesul, MedChemExpress

MedChemExpress Otenaproxesul (ATB-346), an orally active non-steroidal anti-inflammatory drug (NSAID), inhibits cyclooxygenase-1 and 2 (COX-1 and 2). Otenaproxesul possesses antiinflammatory and antinociceptive activities.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 365.45
Color Yellow
Physical Form Solid
Chemical Name or Material Otenaproxesul
Grade Research
SMILES COC1=CC=C(C=C(C(C)C(OC2=CC=C(C(N)=S)C=C2)=O)C=C3)C3=C1
For Use With (Application) COVID-19-immunoregulation
Percent Purity 98.35%
CAS 1226895-20-0
Solubility Information DMSO : ≥ 51.6 mg/mL (141.20 mM)
Health Hazard 1 H315∣H319∣H335
Synonym ATB-346
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C21H19NO3S
Formula Weight 365.45
2

BTB06584, MedChemExpress

MedChemExpress BTB06584 is a selective and IF1-dependent mitochondrial F1Fo-ATPase inhibitor without compromising ATP synthesis. BTB06584 can delays ischaemic cell death.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 417.82
Color White
Physical Form Solid
Chemical Name or Material BTB06584
Grade Research
SMILES ClC1=CC=C(C(OC2=C([N+]([O-])=O)C=CC(S(C3=CC=CC=C3)(=O)=O)=C2)=O)C=C1
For Use With (Application) Cancer-programmed cell death
Percent Purity 99.83%
CAS 219793-45-0
Solubility Information DMSO : ≥ 47 mg/mL (112.49 mM)
Health Hazard 1 H318
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C19H12ClNO6S
Formula Weight 417.82
3

SBI-115, MedChemExpress

MedChemExpress SBI-115 is a TGR5 (GPCR19) antagonist. SBI-115 decreases hepatic cystogenesis with polycystic liver diseases via inhibiting TGR5.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 340.78
Color Off-White
Physical Form Solid
Chemical Name or Material SBI-115
Grade Research
SMILES O=C(C1=NC(S(=O)(CC)=O)=NC=C1Cl)OC2=CC=CC(C)=C2
For Use With (Application) COVID-19-immunoregulation
Percent Purity 99.57%
CAS 882366-16-7
Solubility Information DMSO : 150 mg/mL (440.17 mM; Need ultrasonic)
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C14H13ClN2O4S
Formula Weight 340.78
4

BCX 1470 methanesulfonate, MedChemExpress

MedChemExpress BCX 1470 methanesulfonate inhibits the esterolytic activity of factor D (IC50=96 nM) and C1s (IC50=1.6 nM), 3.4- and 200-fold better, respectively, than that of trypsin.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 398.48
Color White
Physical Form Solid
Chemical Name or Material BCX 1470 methanesulfonate
Grade Research
SMILES N=C(C1=CC2=CC=C(OC(C3=CC=CS3)=O)C=C2S1)N.O=S(O)(C)=O
For Use With (Application) COVID-19-immunoregulation
Percent Purity 98.17%
CAS 217099-44-0
Solubility Information DMSO : ≥ 33.33 mg/mL (83.64 mM)
Health Hazard 1 H302∣H315∣H319∣H335
Purity Grade Notes Research
Recommended Storage 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Shelf Life 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Molecular Formula C15H14N2O5S3
Formula Weight 398.48
5

Gabexate mesylate, MedChemExpress

MedChemExpress Gabexate mesylate is a Factor X inhibitor; serine protease inhibitor .

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 417.48
Color White
Physical Form Solid
Chemical Name or Material Gabexate mesylate
Grade Research
SMILES O=C(OCC)C1=CC=C(OC(CCCCCNC(N)=N)=O)C=C1.CS(=O)(O)=O
For Use With (Application) COVID-19-immunoregulation
Percent Purity 98.12%
CAS 56974-61-9
Solubility Information DMSO : ≥ 100 mg/mL (239.53 mM) ∣H2O : 7.14 mg/mL (17.10 mM; Need ultrasonic)
Health Hazard 1 H302
Synonym FOY
Purity Grade Notes Research
Recommended Storage 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Shelf Life 4°C, sealed storage, away from moisture∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture)
Molecular Formula C17H27N3O7S
Formula Weight 417.48
6

Nafamostat mesylate, MedChemExpress

MedChemExpress Nafamostat mesylate, a synthetic serine protease inhibitor, is an anticoagulant. Nafamostat mesylate supresses T cell auto-reactivity by decreasing granzyme activity and CTL cytolysis. Nafamostat mesylate blocks activation of SARS-CoV-2..

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 539.58
Color Off-White
Physical Form Solid
Chemical Name or Material Nafamostat mesylate
Grade Research
SMILES CS(=O)(O)=O.O=C(OC1=CC=C2C=C(C(N)=N)C=CC2=C1)C3=CC=C(NC(N)=N)C=C3.CS(=O)(O)=O
For Use With (Application) COVID-19-anti-virus
Percent Purity 98.0%
CAS 82956-11-4
Solubility Information DMSO : 50 mg/mL (92.66 mM; Need ultrasonic) ∣H2O : 33.33 mg/mL (61.77 mM; Need ultrasonic)
Health Hazard 1 H302
Synonym FUT-175
Purity Grade Notes Research
Recommended Storage 4°C, sealed storage, away from moisture and light∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture and light)
Shelf Life 4°C, sealed storage, away from moisture and light∣In solvent : -80°C, 6 months∣-20°C, 1 month (sealed storage, away from moisture and light)
Molecular Formula C21H25N5O8S2
Formula Weight 539.58
7

trans-4-(4-n-Pentylcyclohexyl)phenyl trans,trans-4'-n-propylbicyclohexyl-4-carboxylate, 97%, Thermo Scientific™

CAS: 131790-57-3 Molecular Formula: C33H52O2 Molecular Weight (g/mol): 480.78 MDL Number: MFCD11053459,MFCD20527223 InChI Key: HNSOCAVSNSWNJJ-UHFFFAOYSA-N Synonym: trans,trans-4-trans-4-pentylcyclohexyl-phenyl 4'-propylbicyclohexyl-4-carboxylate,4-4-n-pentylcyclohexyl phenyl 4'-n-propylbicyclohexyl-4-carboxylate,4-4-pentylcyclohexyl phenyl 4'-propyl-1,1'-bi cyclohexane-4-carboxylate,4-4-pentylcyclohexyl phenyl 4'-propyl 1,1'-bi cyclohexane-4-carboxylate,trans,trans-4-trans-4-pentylcyclohexyl-phenyl 4-propylbicyclohexyl-4-carboxylate,trans-4-4-n-pentylcyclohexyl phenyl trans,trans-4'-n-propylbicyclohexyl-4-carboxylate,1alpha-4beta-1alpha-4beta-propylcyclohexyl cyclohexanecarboxylic acid 4-1alpha-4beta-pentylcyclohexyl phenyl ester,trans,trans-4-4-trans-pentylcyclohexyl phenyl 4'-propyl-1,1'-bi cyclohexane-4-carboxylate,4-4-pentylcyclohexyl phenyl 1r,1's,4r,4'r-4'-propyl-1,1'-bi cyclohexane-4-carboxylate,4-1s,4r-4-pentylcyclohexyl phenyl 1r,1's,4r,4'r-4'-propyl-1,1'-bi cyclohexane-4-carboxylate PubChem CID: 14993612 IUPAC Name: [4-(4-pentylcyclohexyl)phenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate SMILES: CCCCCC1CCC(CC1)C1=CC=C(OC(=O)C2CCC(CC2)C2CCC(CCC)CC2)C=C1

PubChem CID 14993612
CAS 131790-57-3
Molecular Weight (g/mol) 480.78
MDL Number MFCD11053459,MFCD20527223
SMILES CCCCCC1CCC(CC1)C1=CC=C(OC(=O)C2CCC(CC2)C2CCC(CCC)CC2)C=C1
Synonym trans,trans-4-trans-4-pentylcyclohexyl-phenyl 4'-propylbicyclohexyl-4-carboxylate,4-4-n-pentylcyclohexyl phenyl 4'-n-propylbicyclohexyl-4-carboxylate,4-4-pentylcyclohexyl phenyl 4'-propyl-1,1'-bi cyclohexane-4-carboxylate,4-4-pentylcyclohexyl phenyl 4'-propyl 1,1'-bi cyclohexane-4-carboxylate,trans,trans-4-trans-4-pentylcyclohexyl-phenyl 4-propylbicyclohexyl-4-carboxylate,trans-4-4-n-pentylcyclohexyl phenyl trans,trans-4'-n-propylbicyclohexyl-4-carboxylate,1alpha-4beta-1alpha-4beta-propylcyclohexyl cyclohexanecarboxylic acid 4-1alpha-4beta-pentylcyclohexyl phenyl ester,trans,trans-4-4-trans-pentylcyclohexyl phenyl 4'-propyl-1,1'-bi cyclohexane-4-carboxylate,4-4-pentylcyclohexyl phenyl 1r,1's,4r,4'r-4'-propyl-1,1'-bi cyclohexane-4-carboxylate,4-1s,4r-4-pentylcyclohexyl phenyl 1r,1's,4r,4'r-4'-propyl-1,1'-bi cyclohexane-4-carboxylate
IUPAC Name [4-(4-pentylcyclohexyl)phenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
InChI Key HNSOCAVSNSWNJJ-UHFFFAOYSA-N
Molecular Formula C33H52O2