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BMS 182874 hydrochloride

CAT: 0013-GTR19172997-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19172997-01Size:1 mg
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Description
BMS 182874 hydrochloride is a selective, non-peptide antagonist of the endothelin type A (ETA) receptor. It is utilized in research to investigate the role of endothelin-1 in cardiovascular diseases, pulmonary hypertension, and cancer, employing both in vitro binding assays and in vivo animal models.
CAS Number
1215703-04-0
Product Name Alternative
Endothelin Receptor, EndothelinReceptor, ET-A, BMS182874 Hydrochloride, BMS-182874 Hydrochloride, BMS 182874 hydrochloride, BMS 182874 Hydrochloride
Field of Research
Pharmacology & Drug Discovery
Purity
97.01% (May vary between batches)
Solubility
DMSO:50 mg/mL (130.93 mM)
Smiles
CC1=C (NS (=O) (C2=CC=CC3=C2C=CC=C3N (C) C) =O) ON=C1C.Cl
Molecular Formula
C17H20ClN3O3S
Molecular Weight
381.88
Storage Conditions
-20°C
Notes
For research use only.

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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