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BMS 182874 (hydrochloride)

CAT: 0804-HY-103458Size: 1 EachDry Ice: NoHazardous: No
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Description
BMS 182874 hydrochloride is an orallyactive, highly selective endothelin receptor (ETA receptor) antagonist, with IC50 value of 0.150 μM, Ki of 0.055 μM. BMS 182874 hydrochloride reduces the arterial pressure of Deoxycorticosterone acetate induced hypertension model in rats, and can be used for cardiovascular disease research[1].
CAS Number
1215703-04-0
UNSPSC
12352005
Hazard Statement
H302
Target
Endothelin Receptor
Related Pathways
GPCR/G Protein
Field of Research
Metabolic Disease; Cardiovascular Disease
Smiles
O=S(C1=C2C=CC=C(C2=CC=C1)N(C)C)(NC3=C(C(C)=NO3)C)=O.Cl
Molecular Formula
C17H20ClN3O3S
Molecular Weight
381.88
Precautions
P264-P270-P330-P501
References & Citations
[1]Abdullaha M, et.al. Methoxy-naphthyl-Linked N-Benzyl Pyridinium Styryls as Dual Cholinesterase Inhibitors: Design, Synthesis, Biological Evaluation, and Structure-Activity Relationship. ACS Omega. 2023 May 9;8 (20) :17591-17608.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Bms 182874 hydrochloride
CAS Number1215703-04-0
PubChem CID56972163
IUPAC Name5-(dimethylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide;hydrochloride
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.9
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity534
SMILES
CC1=C(ON=C1C)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C.Cl
InChI
InChI=1S/C17H19N3O3S.ClH/c1-11-12(2)18-23-17(11)19-24(21,22)16-10-6-7-13-14(16)8-5-9-15(13)20(3)4;/h5-10,19H,1-4H3;1H
InChIKey
UZZFRNZGYDOBAO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bms 182874 hydrochloride
CAS: 1215703-04-0
CID: 56972163
Formula: C17H20ClN3O3S
MW: 381.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight381.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass381.0913904
Monoisotopic Mass381.0913904
Topological Polar Surface Area83.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity534
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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