Sulmazol

Sulmazole

HCID 5353CAS 73384-60-8
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Grundinformationen

Standard-SMILES
COc1cc(S(C)=O)ccc1-c1nc2ncccc2[nH]1
InChIKey
XMFCOYRWYYXZMY-UHFFFAOYSA-N
Summenformel
C14H13N3O2S
Durchschnittliche Molmasse
287,34 g/mol
Monoisotopische Masse
287,07284766

Überblick

Sulmazole is an imidazopyridine that is 1H-imidazo[4,5-b]pyridine which is substituted at position 2 by a 2-methoxy-4-(methylsulfinyl)phenyl group. An A1 adenosine receptor antagonist, it was formerly used as a cardiotonic agent. It has a role as a cardiotonic drug, an EC 3.1.4.* (phosphoric diester hydrolase) inhibitor and an adenosine A1 receptor antagonist. It is a sulfoxide and an imidazopyridine.

Namen und Bezeichner

Bevorzugter Name
Sulmazole
IUPAC
2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine
Lokaler Name
Sulmazol
Englischer Name
2-[2-METHOXY-4-(METHYLSULFINYL)PHENYL]-1H-IMIDAZO[4,5-B]PYRIDINE
Summenformel
C14H13N3O2S
Molmasse
287.34

Namen und Synonyme

sulmazole73384-60-8sulmazolVardaxSulmazolumDTXSID1040617NSC-757867HK56EH9K44CHEBI:349882-(2-Methoxy-4-(methylsulfinyl)phenyl)-3H-imidazo[4,5-b]pyridine2-[2-methoxy-4-(methylsulfinyl)phenyl]-1H-imidazo[4,5-b]pyridineDTXCID9020617
Weitere Namen anzeigen
ar-l115bs5-b)pyridine,2-(2-methoxy-4-(methylsulfinyl)phenyl)-1h-imidazo(3H-Imidazo[4,5-b]pyridine, 2-[2-methoxy-4-(methylsulfinyl)phenyl]-
2-(2-Methoxy-4-(methylsulfinyl)phenyl)-1H-imidazo(4,5-b)pyridine2-(2-Methoxy-4-(methylsulfinyl)phenyl)-3H-imidazo(4,5-b)pyridine2-(2-Methoxy-4-[methylsulfinyl]phenyl)-1H-imidazo(4,5-b)pyridine1H-Imidazo(4,5-b)pyridine, 2-(2-methoxy-4-(methylsulfinyl)phenyl)-2-((2-methoxy-4-methylsulfinyl)phenyl)-H-imidazo(4,5-b)pyridine2-[2-methoxy-4-(methylsulfinyl)phenyl]-3H-imidazo[4,5-b]pyridineBWA746CMG-28734

Datenbank-Bezeichner

CAS
73384-60-8
PubChem CID
5353
DTXSID
DTXSID1040617
ChEMBL
CHEMBL286020
ChEBI
CHEBI:34988
UNII
HK56EH9K44
EC Number
277-406-1
Nikkaji
J11.238K

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,2
Polarare Oberfläche (TPSA)
87,1 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
3
Schwere Atome
20

Experimentelle und physikochemische Eigenschaften

Collision Cross Section · 2 Einträge

166.4 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

178.7 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physikochemische Eigenschaften

Schmelzpunkt
203 · 203-205°
Siedepunkt
527.3 · 527.3±60.0 °C(Predicted)
Dichte
1.43 · 1.43±0.1 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
6 · 6+-.0.20(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk
3
RTECS-Nr.
NJ5749500
risk_code
22-36/37/38
Toxizität
LD50 in albino mice (mg/kg): 560 orally; 163 i.v. (Diederen, Kadatz)
hazard_code
Xn
safety_code
26-36

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 2 Einträge

Agents that have a strengthening effect on the heart or that can increase cardiac output. They may be CARDIAC GLYCOSIDES; SYMPATHOMIMETICS; or other drugs. They are used after MYOCARDIAL INFARCT; CARDIAC SURGICAL PROCEDURES; in SHOCK; or in congestive heart failure (HEART FAILURE).

Compounds which inhibit or antagonize the biosynthesis or actions of phosphodiesterases.

Anbieter13 Anbieter

Sinoway Industrial co., ltd.+86-0592-5800732 +86-13806035118 · [email protected]
InvivoChem中国13549236410 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611

Ergänzende Hinweise

DefinitionChEBI: An imidazopyridine that is 1H-imidazo[4,5-b]pyridine which is substituted at position 2 by a 2-methoxy-4-(methylsulfinyl)phenyl group. An A1 adenosine receptor antagonist, it was formerly used as a cardi tonic agent.

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