Piboserod

HCID 177336
노트반응
부분 구조 검색유사 구조 찾기

기본 정보

CAS
152811-62-6
표준 SMILES
CCCCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCCO3)CC1
InChIKey
KVCSJPATKXABRQ-UHFFFAOYSA-N
분자식
C22H31N3O2
평균 분자량
369.5 g/mol
단동위원소 질량
369.24162723

개요

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

이름 및 식별자

우선 이름
Piboserod
IUPAC
N-[(1-butylpiperidin-4-yl)methyl]-3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carboxamide
영어명
PIBOSEROD,2H-(1,3)OXAZINO(3,2-A)INDOLE-10-CARBOXAMIDE, N-((1-BUTYL-4-PIPERIDINYL)METHYL)-3,4-DIHYDRO-
분자식
C22H31N3O2
분자량
369.5

이름 및 동의어

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
이름 더 보기
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-

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
3.7
극성 표면적
46.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
6
무거운 원자 수
27

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

물리화학적 성질

녹는점
110 · 110-113°
끓는 점
570.3 · 570.3±35.0 °C(Predicted)
밀도
1.22 · 1.22±0.1 g/cm3(Predicted)
저장 조건
2 · 2-8°C
용해도
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
물리적 상태
가루

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (100%)

안전 데이터

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

화학 및 산업

약리 정보

Pharmacodynamics · 1건

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 · 1건

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.

응용 분야

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

공급사58 곳

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]

관련 반응

2건
반응 기록 만들기

화합물 노트

불러오는 중…