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5-(DIMETHYLAMINO)-N-(3,4-DIMETHYL-5-ISOXAZOLYL)-1-NAPHTHALENESULFONAMIDE HYDROCHLORIDE, also known as BMS 182874 Hydrochloride, is a potent, selective, and competitive non-peptide endothelin ETA receptor antagonist with a Ki value of 48 nM. It is a pharmaceutical compound that has been developed for its potential therapeutic applications, particularly in the treatment of various medical conditions related to the endothelin system.

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  • 5-(dimethylamino)- N-(3,4-dimethylisoxazol-5-yl)naphthalene-1-sulfonamide

    Cas No: 153042-42-3

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  • 153042-42-3 Structure
  • Basic information

    1. Product Name: 5-(DIMETHYLAMINO)-N-(3,4-DIMETHYL-5-ISOXAZOLYL)-1-NAPHTHALENESULFONAMIDE HYDROCHLORIDE
    2. Synonyms: BMS 182874 HYDROCHLORIDE;5-(DIMETHYLAMINO)-N-(3,4-DIMETHYL-5-ISOXAZOLYL)-1-NAPHTHALENESULFONAMIDE HYDROCHLORIDE;BMS182874HCl;5-(dimethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-1-naphthalenesulfonamide
    3. CAS NO:153042-42-3
    4. Molecular Formula: C17H20ClN3O3S
    5. Molecular Weight: 381.88
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 153042-42-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 524.5°Cat760mmHg
    3. Flash Point: 271°C
    4. Appearance: /
    5. Density: 1.332g/cm3
    6. Vapor Pressure: 4.3E-11mmHg at 25°C
    7. Refractive Index: 1.646
    8. Storage Temp.: Store at RT
    9. Solubility: N/A
    10. PKA: 7?+-.0.50(Predicted)
    11. CAS DataBase Reference: 5-(DIMETHYLAMINO)-N-(3,4-DIMETHYL-5-ISOXAZOLYL)-1-NAPHTHALENESULFONAMIDE HYDROCHLORIDE(CAS DataBase Reference)
    12. NIST Chemistry Reference: 5-(DIMETHYLAMINO)-N-(3,4-DIMETHYL-5-ISOXAZOLYL)-1-NAPHTHALENESULFONAMIDE HYDROCHLORIDE(153042-42-3)
    13. EPA Substance Registry System: 5-(DIMETHYLAMINO)-N-(3,4-DIMETHYL-5-ISOXAZOLYL)-1-NAPHTHALENESULFONAMIDE HYDROCHLORIDE(153042-42-3)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 153042-42-3(Hazardous Substances Data)

153042-42-3 Usage

Uses

Used in Pharmaceutical Industry:
5-(DIMETHYLAMINO)-N-(3,4-DIMETHYL-5-ISOXAZOLYL)-1-NAPHTHALENESULFONAMIDE HYDROCHLORIDE is used as a therapeutic agent for the treatment of conditions related to endothelin ETA receptor overactivity. Its high selectivity and potency make it a promising candidate for the development of new drugs targeting endothelin-mediated diseases.
Used in Cardiovascular Applications:
In the cardiovascular industry, 5-(DIMETHYLAMINO)-N-(3,4-DIMETHYL-5-ISOXAZOLYL)-1-NAPHTHALENESULFONAMIDE HYDROCHLORIDE is used as a vasoconstriction modulator. It targets the endothelin ETA receptors, which are predominantly found in vascular smooth muscle tissues. By blocking these receptors, it can help in the management of conditions characterized by abnormal vasoconstriction, such as hypertension and certain heart diseases.
Used in Research and Development:
5-(DIMETHYLAMINO)-N-(3,4-DIMETHYL-5-ISOXAZOLYL)-1-NAPHTHALENESULFONAMIDE HYDROCHLORIDE is also used as a research tool in the field of endothelin receptor pharmacology. Its high affinity and selectivity for the ETA receptor make it a valuable compound for studying the role of endothelin in various physiological and pathological processes, as well as for the development of new drugs targeting the endothelin system.

Biological Activity

Potent, selective and competitive non-peptide endothelin ET A receptor antagonist (K i = 48 nM). Displays > 1000-fold selectivity over ET B receptors. Inhibits ET-1-induced pressor response following oral or intravenous administration in vivo . In vitro inhibits ET-1-induced longitudinal muscle contraction in the mouse colon.

Check Digit Verification of cas no

The CAS Registry Mumber 153042-42-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,5,3,0,4 and 2 respectively; the second part has 2 digits, 4 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 153042-42:
(8*1)+(7*5)+(6*3)+(5*0)+(4*4)+(3*2)+(2*4)+(1*2)=93
93 % 10 = 3
So 153042-42-3 is a valid CAS Registry Number.
InChI:InChI=1/C17H19N3O3S/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

153042-42-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-(dimethylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide

1.2 Other means of identification

Product number -
Other names Tocris-1441

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:153042-42-3 SDS

153042-42-3Downstream Products

153042-42-3Relevant articles and documents

SULFONAMIDE ENDOTHELIN ANTAGONISTS

-

, (2008/06/13)

Compounds of the formula STR1 inhibit endothelin, wherein: one of X and Y is N and the other is O; R is naphthyl or naphthyl substituted with R. sup.1, R 2 and R 3 ;R 1, R 2 and R 3 are each independently hydrogen; alkyl, alkenyl, alkynyl, alkoxy, cycloalkyl, cycloalkylalkyl, cycloalkenyl, cycloalkenylalkyl, aryl, or aralkyl, any of which may be substituted with Z 1, Z 2 and Z 3 ; halo; hydroxyl; cyano; nitro;--C(O)H;--C(O)R 6 ; CO 2 H;--CO 2 R 6 ;--SH;--S(O) n R 6 ;--S(O) m--OH;--S(O). sub.m--OR 6 ;--O--S(O) m--R 6 ;--O--S(O) m OH;--O--S(O) m--OR. sup.6 ;--Z 4--NR 7 R 8 ; or--Z 4--N(R. sup.11)--Z 5--NR 9 R 10 ;R 4 and R 5 are each independently hydrogen; alkyl, alkenyl, alkynyl, alkoxy, cycloalkyl, cycloalkylalkyl, cycloalkenyl, cycloalkenylalkyl, aryl, or aralkyl, any of which may be substituted with Z 1, Z 2 and Z 3 ; halo; hydroxyl; cyano; nitro;--C(O)H;--C(O)R 6 ;--CO 2 H;--CO 2 R 6 ;--SH,--S(O) n R. sup.6 ;--S(O) m--OH;--S(O) m--OR 6 ;--O--S(O) m--R. sup.6 ;--O--S(O) m OH;--O--S(O) m--OR. sup.6 ;--Z 4--NR. sup.7 R 8 ;--Z 4--N(R. sup.11)--Z 5--NR. sup.9 R 10 ; or R 4 and R 5 together are alkylene or alkenylene (either of which may be substituted with Z 1, Z 2 and Z 3), completing a 4-to 8-membered saturated, unsaturated or aromatic ring together with the carbon atoms to which they are attached.

Discovery and structure-activity relationships of sulfonamide ET(A)- selective antagonists

Stein,Floyd,Bisaha,Dickey,Girotra,Gougoutas,Kozlowski,Lee,Liu,Malley,McMullen,Mitchell,Moreland,Murugesan,Serafino,Webb,Zhang,Hunt

, p. 1344 - 1354 (2007/10/02)

Random screening of compounds in an ETA receptor binding assay led to the discovery of a class of benzenesulfonamide ligands. Optimization led to the development of 5-amino-N-(3,4-dimethyl-5-isoxazolyl)-1- naphthalenesulfonamides which were functional ant

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