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Bromobenzenes

Organic compounds considered aryl halides that consist of a phenyl group with a bromine atom substitution in the following structure: C₆H₅Br.

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2

4-Bromobenzenesulfinic acid sodium salt dihydrate, 97%

CAS: 175278-64-5 Molecular Formula: C6H4BrO2S Molecular Weight (g/mol): 220.06 MDL Number: MFCD00210139 InChI Key: QBLQHDHWTVMHRH-UHFFFAOYSA-M Synonym: sodium 4-bromobenzenesulfinate dihydrate,4-bromobenzenesulfinic acid sodium salt dihydrate,sodium 4-bromobenzene-1-sulphinate dihydrate,acmc-209e9v,c6h4bro2s.na.2h2o,sodium 4-bromophenylsulfinate dihydrate,sodium 4-bromobenzenesulfinate, dihydrate,sodium 4-bromanylbenzenesulfinate dihydrate,4-bromobenzenesulfonic acid sodium salt 2-hydrate,sodium 4-bromobenzene-1-sulfinate-water 1/1/2 PubChem CID: 23683129 IUPAC Name: sodium;4-bromobenzenesulfinate;dihydrate SMILES: [O-]S(=O)C1=CC=C(Br)C=C1

PubChem CID 23683129
CAS 175278-64-5
Molecular Weight (g/mol) 220.06
MDL Number MFCD00210139
SMILES [O-]S(=O)C1=CC=C(Br)C=C1
Synonym sodium 4-bromobenzenesulfinate dihydrate,4-bromobenzenesulfinic acid sodium salt dihydrate,sodium 4-bromobenzene-1-sulphinate dihydrate,acmc-209e9v,c6h4bro2s.na.2h2o,sodium 4-bromophenylsulfinate dihydrate,sodium 4-bromobenzenesulfinate, dihydrate,sodium 4-bromanylbenzenesulfinate dihydrate,4-bromobenzenesulfonic acid sodium salt 2-hydrate,sodium 4-bromobenzene-1-sulfinate-water 1/1/2
IUPAC Name sodium;4-bromobenzenesulfinate;dihydrate
InChI Key QBLQHDHWTVMHRH-UHFFFAOYSA-M
Molecular Formula C6H4BrO2S
3

4-Bromobenzylsulfonyl chloride, 95%, Thermo Scientific Chemicals

CAS: 53531-69-4 Molecular Formula: C7H6BrClO2S Molecular Weight (g/mol): 269.55 InChI Key: ZWVWFWGJZPHCHF-UHFFFAOYSA-N Synonym: 4-bromobenzylsulfonyl chloride,4-bromophenyl methanesulfonyl chloride,4-bromobenzylsulphonyl chloride,benzenemethanesulfonyl chloride, 4-bromo,4-bromophenyl methanesulphonyl chloride,4-bromophenyl methyl chlorosulfone,4-bromo-phenyl-methanesulfonyl chloride,4-bromo-benzenemethanesulfonyl chloride,pubchem2155,acmc-209l8j PubChem CID: 598764 IUPAC Name: (4-bromophenyl)methanesulfonyl chloride SMILES: C1=CC(=CC=C1CS(=O)(=O)Cl)Br

PubChem CID 598764
CAS 53531-69-4
Molecular Weight (g/mol) 269.55
SMILES C1=CC(=CC=C1CS(=O)(=O)Cl)Br
Synonym 4-bromobenzylsulfonyl chloride,4-bromophenyl methanesulfonyl chloride,4-bromobenzylsulphonyl chloride,benzenemethanesulfonyl chloride, 4-bromo,4-bromophenyl methanesulphonyl chloride,4-bromophenyl methyl chlorosulfone,4-bromo-phenyl-methanesulfonyl chloride,4-bromo-benzenemethanesulfonyl chloride,pubchem2155,acmc-209l8j
IUPAC Name (4-bromophenyl)methanesulfonyl chloride
InChI Key ZWVWFWGJZPHCHF-UHFFFAOYSA-N
Molecular Formula C7H6BrClO2S
4

Skp2 Inhibitor C1, MedChemExpress

MedChemExpress Skp2 Inhibitor C1(SKPin C1) is a specific small molecule inhibitor of Skp2-mediated p27 degradation, selectively inhibited Skp2-mediated p27 degradation by reducing p27 binding through key compound-receptor contacts.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 465.34
Color Yellow
Physical Form Powder
Chemical Name or Material Skp2 Inhibitor C1
Grade Research
SMILES S=C(S/1)N(CC2=CN=CC=C2)C(C1=C\C(C=C(Br)C=C3)=C3OCC(O)=O)=O
For Use With (Application) Cancer-programmed cell death
Percent Purity 96.2%
CAS 432001-69-9
Solubility Information DMSO : 20.83 mg/mL (44.76 mM; Need ultrasonic)
Health Hazard 1 H302∣H315∣H319∣H335
Synonym SKPin C1
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 C18H13BrN2O4S2
Formula Weight 465.34
5

TC HSD 21, MedChemExpress

MedChemExpress TC HSD 21 is a potent 17β-hydroxysteroid dehydrogenase type 3 (17β-HSD3) inhibitor with an IC50 of 14 nM. TC HSD 21 shows excellent selectivity over 17β-HSD isoenzymes and nuclear receptors.

ENCOMPASS_PREFERRED
6

IDO-IN-12, MedChemExpress

MedChemExpress IDO-IN-12 is an indoleamine 2,3-dioxygenase (IDO) inhibitor extracted from patent WO 2017181849 A1.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 416.23
Color White
Physical Form Solid
Chemical Name or Material IDO-IN-12
Grade Research
SMILES FC1=CC=C(N2C(C3=NON=C3NCCSC)=NOC2=O)C=C1Br
For Use With (Application) Cancer-programmed cell death
Percent Purity 97.64%
CAS 1888341-29-4
Solubility Information DMSO : ≥ 50 mg/mL (120.13 mM)
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 C13H11BrFN5O3S
Formula Weight 416.23
7

CK-869, MedChemExpress

MedChemExpress CK-869 is an Actin-Related Protein 2/3 (ARP2/3) complex inhibitor, with an IC50 of 7 μM.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 394.28
Color White
Physical Form Powder
Chemical Name or Material CK-869
Grade Research
SMILES O=C1N(C2=CC=C(OC)C=C2OC)C(C3=CC=CC(Br)=C3)SC1
For Use With (Application) Cancer-programmed cell death
Percent Purity 99.42%
CAS 388592-44-7
Solubility Information DMSO : 75 mg/mL (190.22 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 C17H16BrNO3S
Formula Weight 394.28
8

Macitentan (n-butyl analogue), MedChemExpress

MedChemExpress Macitentan n-butyl analogue is a n-butyl analogue of Macitentan. Macitentan is an orally active, non-peptide dual endothelin ETA and ETB receptor antagonist for the potential treatment of idiopathic pulmonary fibrosis (IPF) and pulmonary arterial hypertension (PAH).

ENCOMPASS_PREFERRED
CAS 556797-16-1
Molecular Weight (g/mol) 587.28
Color Light Yellow
Physical Form Solid
Chemical Name or Material Macitentan (n-butyl analogue)
Grade Research
SMILES BrC1=CN=C(OCCOC2=C(C3=CC=C(Br)C=C3)C(NS(CCCC)(=O)=O)=NC=N2)N=C1
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
For Use With (Application) COVID-19-immunoregulation
Molecular Formula C20H21Br2N5O4S
Formula Weight 587.28
9

CID5721353, MedChemExpress

MedChemExpress CID5721353 is an inhibitor of BCL6 with an IC50 value of 212 μM, which corresponds to a Ki of 147 μM.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 457.28
Color Brown
Physical Form Solid
Chemical Name or Material CID5721353
Grade Research
SMILES O=C(O)C(N(C/1=O)C(SC1=C2C(NC3=C\2C=C(Br)C=C3)=O)=S)CC(O)=O
For Use With (Application) Cancer-programmed cell death
Percent Purity 98.0%
CAS 301356-95-6
Solubility Information DMSO : 50 mg/mL (109.34 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 C15H9BrN2O6S2
Formula Weight 457.28
10

KR-33493, MedChemExpress

MedChemExpress KR-33493 is a potent inhibitor of Fas-mediated cell death (FAF1).

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 460.34
Color White
Physical Form Solid
Chemical Name or Material KR-33493
Grade Research
SMILES OC(C1=NN(CCC2=CC=CC=C2)C=C1NC(CSC3=CC=C(Br)C=C3)=O)=O
For Use With (Application) Neuroscience-Neuromodulation
Percent Purity 99.75%
CAS 1021497-97-1
Solubility Information DMSO : ≥ 31 mg/mL (67.34 mM)
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 C20H18BrN3O3S
Formula Weight 460.34
11

ICAM-1-IN-1, MedChemExpress

MedChemExpress ICAM-1-IN-1 is a potent and selective inhibitor of E-selectin and ICAM-1 with IC50 values of 7 and 5 nM, respectively.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 363.23
Color White
Physical Form Solid
Chemical Name or Material ICAM-1-IN-1
Grade Research
SMILES O=C(C(S1)=CC2=C1C=NC=C2OC3=CC=C(Br)C=C3)NC
For Use With (Application) COVID-19-immunoregulation
Percent Purity 99.73%
CAS 251994-14-6
Solubility Information DMSO : ≥ 135 mg/mL (371.67 mM)
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 C15H11BrN2O2S
Formula Weight 363.23
12

Y06036, MedChemExpress

MedChemExpress Y06036 is a potent and selective BET inhibitor, which binds to the BRD4(1) bromodomain with Kd value of 82 nM. Antitumor activity.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 427.27
Color Light Yellow
Physical Form Solid
Chemical Name or Material Y06036
Grade Research
SMILES BrC1=CC(S(=O)(NC2=C(OC)C=C(ON=C3C)C3=C2)=O)=C(OC)C=C1
For Use With (Application) Neuroscience-Neuromodulation
Percent Purity 98.96%
CAS 1832671-96-1
Solubility Information DMSO : 130 mg/mL (304.26 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 C16H15BrN2O5S
Formula Weight 427.27
13

Macitentan, MedChemExpress

MedChemExpress Macitentan (ACT-064992) is an orally active, non-peptide dual ETA and ETB (endothelin receptor) antagonist. Macitentan has the potential for idiopathic pulmonary fibrosis (IPF) and pulmonary arterial hypertension (PAH).

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 588.27
Color White
Physical Form Solid
Chemical Name or Material Macitentan
Grade Research
SMILES BrC1=CN=C(OCCOC2=C(C3=CC=C(Br)C=C3)C(NS(NCCC)(=O)=O)=NC=N2)N=C1
For Use With (Application) COVID-19-immunoregulation
Percent Purity 98.75%
CAS 441798-33-0
Solubility Information DMSO : ≥ 50 mg/mL (84.99 mM)
Health Hazard 1 H360
Synonym ACT-064992
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 C19H20Br2N6O4S
Formula Weight 588.27
14

AK-7, MedChemExpress

MedChemExpress AK-7 is a selective cell- and brain-permeable SIRT2 inhibitor, with an IC50 of 15.5 μM.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 437.35
Color White
Physical Form Solid
Chemical Name or Material AK-7
Grade Research
SMILES O=S(N1CCCCCC1)(C2=CC(C(NC3=CC(Br)=CC=C3)=O)=CC=C2)=O
For Use With (Application) Neuroscience-Neurodegeneration
Percent Purity 98.0%
CAS 420831-40-9
Solubility Information DMSO : ≥ 50 mg/mL (114.32 mM) ∣H2O : < 0.1 mg/mL (insoluble)
Health Hazard 1 H319
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 C19H21BrN2O3S
Formula Weight 437.35
15

Bretylium tosylate, MedChemExpress

MedChemExpress Bretylium (tosylate) is an inhibitor of the presynaptic release of vasoconstrictor neurotransmitters.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 414.36
Color White
Physical Form Solid
Chemical Name or Material Bretylium tosylate
Grade Research
SMILES C[N+](C)(CC)CC1=CC=CC=C1Br.O=S(C2=CC=C(C)C=C2)([O-])=O
For Use With (Application) Neuroscience-Neuromodulation
Percent Purity 98.39%
CAS 61-75-6
Solubility Information DMSO : ≥ 30 mg/mL (72.40 mM)
Health Hazard 1 H302+H312+H332
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 C18H24BrNO3S
Formula Weight 414.36