Piboserod

HCID 177336
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Grundinformationen

CAS
152811-62-6
Standard-SMILES
CCCCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCCO3)CC1
InChIKey
KVCSJPATKXABRQ-UHFFFAOYSA-N
Summenformel
C22H31N3O2
Durchschnittliche Molmasse
369,5 g/mol
Monoisotopische Masse
369,24162723

Überblick

Piboserod (SB 207266) is a selective 5-HT(4) receptor antagonist.

Namen und Bezeichner

Bevorzugter Name
Piboserod
IUPAC
N-[(1-butylpiperidin-4-yl)methyl]-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carboxamide
Englischer Name
PIBOSEROD,2H-(1,3)OXAZINO(3,2-A)INDOLE-10-CARBOXAMIDE, N-((1-BUTYL-4-PIPERIDINYL)METHYL)-3,4-DIHYDRO-
Summenformel
C22H31N3O2
Molmasse
369.5

Namen und Synonyme

Piboserod152811-62-6N-[(1-butylpiperidin-4-yl)methyl]-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carboxamideN-((1-butylpiperidin-4-yl)methyl)-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carboxamideSB2072564UQ3S81B25DTXSID60165129N-[(1-BUTYLPIPERIDIN-4-YL)METHYL]-2H,3H,4H-[1,3]OXAZINO[3,2-A]INDOLE-10-CARBOXAMIDEpiboserodumN-((1-butylpiperidin-4-yl)methyl)-2H,3H,4H-(1,3)oxazino(3,2-a)indole-10-carboxamideN-((1-butylpiperidin-4-yl)methyl)-3,4-dihydro-2H-(1,3)oxazino(3,2-a)indole-10-carboxamideRefChem:174124
Weitere Namen anzeigen
CS-2135Unii-4uq3S81B25SB207266(Piboserod)Piboserod(SB-207266)SB-207266 >=98% (HPLC)Piboserod, 10 mM in DMSO
DTXCID8087620110-127-4SB-207266MFCD00923681SB 207266N-[(1-butyl-4-piperidinyl)methyl]-3,4-dihydro-2H-[1,3]-oxazino[3,2-a]indole-10-carboxamidePiboserod [INN]PIBOSEROD,2H-(1,3)OXAZINO(3,2-A)INDOLE-10-CARBOXAMIDE, N-((1-BUTYL-4-PIPERIDINYL)METHYL)-3,4-DIHYDRO-

Datenbank-Bezeichner

CAS
152811-62-6
PubChem CID
177336
DTXSID
DTXSID60165129
ChEMBL
CHEMBL356359
UNII
4UQ3S81B25
EC Number
110-127-4
Nikkaji
J711.350A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,7
Polarare Oberfläche (TPSA)
46,5 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
6
Schwere Atome
27

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15

Physikochemische Eigenschaften

Schmelzpunkt
110 · 110-113°
Siedepunkt
570.3 · 570.3±35.0 °C(Predicted)
Dichte
1.22 · 1.22±0.1 g/cm3(Predicted)
storage temp.
2 · 2-8°C
Löslichkeit
30 mg/mL; · DMF: 30 mg/mL; DMSO: 20 mg/mL; Ethanol: 30 mg/mL; Ethanol:PBS (pH7.2)(1:20): 0.05 mg/mL
Aggregatzustand
powder

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Sicherheitsdaten

wgk
WGK 3
ridadr
UN 2811 6.1 / PGIII
Speicherklasse
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications
Acute Tox. 3 Oral

Chemie und Industrie

Pharmakologische Informationen

Pharmacodynamics · 1 Eintrag

GlaxoSmithKline was investigating piboserod, a 5HT4 antagonist, for the treatment of atrial fibrillation. Phase II trials were ongoing in March 2004, but by December of that year, development had been discontinued. Piboserod had previously being investigated for the treatment of irritable bowel syndrome (IBS), but development for this indication was terminated in 1999.

Mechanism of Action · 1 Eintrag

Piboserod appears to act as a specific antagonist of one of the receptors for 5-hydroxytryptamine, the 5-HT4 receptor. The 5-HT4 receptor antagonists are thought to antagonize both the ability of serotonin to sensitize the peristaltic reflex and 5-HT-induced defecation, at least in animal studies. As 5-HT4 receptors are present in human atrial cells and when stimulated may cause atrial arrhythmias, piboserod was under investigation in clinical trials for atrial fibrillation.

Anwendungen

VerwendenTreatment of irritable bowel syndrome (selective 5HT4receptor antagonist).

Anbieter58 Anbieter

北京华美互利生物化工010-56205725 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
上海波以尔化工有限公司[email protected]

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