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Pirenzepine

HCID 4848
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
28797-61-7
표준 SMILES
CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1
InChIKey
RMHMFHUVIITRHF-UHFFFAOYSA-N
분자식
C19H21N5O2
평균 분자량
351.4 g/mol
단동위원소 질량
351.16952493

개요

Pirenzepine is a pyridobenzodiazepine. It has a role as a muscarinic antagonist, an anti-ulcer drug and an antispasmodic drug.

이름 및 식별자

우선 이름
Pirenzepine
IUPAC
11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
영어명
Pirenzepine
분자식
C19H21N5O2
분자량
351.4

이름 및 동의어

pirenzepine28797-61-7PirenzepinPirenzepinaPirenzepinum11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-oneDTXSID7023487ACI-9111-((4-Methyl-1-piperazinyl)acetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-oneWST-05711-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-oneLS-519
이름 더 보기
LS-519-C12Gastrozepinnyl)acetyl)-Tabe:UlcufortonPirenzepineBasePirenzepine dihydrocPirenzepine USP/EP/BPOmbitasvir Impurity 2
3G0285N20NCHEBI:8247DTXCID3034876H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 5,11-dihydro-11-((4-methyl-1-piperazinyl)acetyl)-Pyrenzepine6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 5,11-dihydro-11-[(4-methyl-1-piperazinyl)acetyl]-LS 519Piren basan

데이터베이스 식별자

CAS
28797-61-7

물성

구조 계산 물성

XLogP
0.1
극성 표면적
68.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
2
무거운 원자 수
26
형식 전하
0
복잡도
534

실험 및 물리화학적 성질

Drugs · 2건

Pharmaceuticals -> Listed in ZINC15

Pharmaceuticals

LogP · 2건

0.6

0.1

Solubility6.82e-01 g/L
Physical DescriptionSolid
Collision Cross Section187.76 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

끓는 점
541.7 · 541.7±50.0 °C(Predicted)
밀도
1.271 · 1.271±0.06 g/cm3(Predicted)
저장 조건
Store at RT
용해도
soluble in No data available
산도 계수 (pKa)
11.29 · 11.29±0.20(Predicted)
물리적 상태
solid
색상
white
수용성
100 mM · water: 100mM
InChI
1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS ClassificationNot Classified

유해성 정보

Regulatory InformationREACH registered substance: Pirenzepine (EC: 249-228-4)
Other Safety InformationIMAP assessments - 6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 5,11-dihydro-11-[(4-methyl-1-piperazinyl)acetyl]-: Environment tier I assessment
Hazard Classes and CategoriesNot Classified

안전 데이터

wgk
WGK 2
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

ATC Code · 2건

A - Alimentary tract and metabolism

QA - Alimentary tract and metabolism

Pharmacodynamics · 1건

Pirenzepine belongs to a group of medications called antispasmodics/anticholinergics. These medications are used to relieve cramps or spasms of the stomach, intestines, and bladder. Pirenzepine is used to treat duodenal or stomach ulcers or intestine problems. It can be used together with antacids or other medicine in the treatment of peptic ulcer. It may also be used to prevent nausea, vomiting, and motion sickness.

Mechanism of Action · 1건

Pirenzepine is a muscarinic receptor antagonist and binds to the muscarinic acetylcholine receptor. The muscarinic acetylcholine receptor mediates various cellular responses, including inhibition of adenylate cyclase, breakdown of phosphoinositides and modulation of potassium channels through the action of G proteins.

MeSH Pharmacological Classification · 2건

Various agents with different action mechanisms used to treat or ameliorate PEPTIC ULCER or irritation of the gastrointestinal tract. This has included ANTIBIOTICS to treat HELICOBACTER INFECTIONS; HISTAMINE H2 ANTAGONISTS to reduce GASTRIC ACID secretion; and ANTACIDS for symptomatic relief.

Drugs that bind to but do not activate MUSCARINIC RECEPTORS, thereby blocking the actions of endogenous ACETYLCHOLINE or exogenous agonists. Muscarinic antagonists have widespread effects including actions on the iris and ciliary muscle of the eye, the heart and blood vessels, secretions of the respiratory tract, GI system, and salivary glands, GI motility, urinary bladder tone, and the central nervous system.

Cellular LocationsMembrane
Metabolite PathwaysPirenzepine Action Pathway

용도 및 제조

UsesUse (kg; approx.) in Germany (2009): >100

관련 반응

1건
반응 기록 만들기
HRID 1981850 반응식
HRID 1981850생성물로uspto-grants-1986_06

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
PubChem CID
4848
DTXSID
DTXSID7023487
ChEMBL
CHEMBL9967
ChEBI
CHEBI:8247
UNII
3G0285N20N
EC Number
249-228-4
Nikkaji
J20.030A
InChIKey
RMHMFHUVIITRHF-UHFFFAOYSA-N
SMILES
N4(CCN(CC4)C)CC(=O)[n]1c2ncccc2[nH][c](c3c1cccc3)=O

화학적 성질

solid

응용 분야

용도Pirenzepine, is an M1 selective antagonist, that is used in the treatment of peptic ulcers, as it reduces gastric acid secretion and reduces muscle spasm.

상·하류 제품 정보

상류 원료

Concentrated hydrochloric acid염화 제일석Pirenzepine hydrochloride2-Chloro-3-pyridinamine3-아미노피리딘트리에틸아민클로로아세틸 클로라이드1.4-다이옥세인2-Nitrobenzoyl chloride4-Amino-2-methyl-10H-thiene[2,3-b][1,5]benzodiazepine hydrochlorideN-메틸피페라진

공급사32 곳

北京华美互利生物化工010-56205725 · [email protected]
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LGM Pharma1-(800)-881-8210 · [email protected]
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Ascent Scientific4401179829988 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
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career henan chemical co+86-0371-86658258 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
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XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
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重庆卡兰医药有限公司[email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
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DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Guangzhou Tosun Pharmaceutical Ltd+86-020-61855200-902 +86-18124244216 · [email protected]