기본 정보
- CAS
30392-40-6- 표준 SMILES
Cc1ccc(C(=O)Oc2ccc(C(O)CNC(C)(C)C)cc2OC(=O)c2ccc(C)cc2)cc1- InChIKey
FZGVEKPRDOIXJY-UHFFFAOYSA-N- 분자식
- C28H31NO5
- 평균 분자량
- 461.5 g/mol
- 단동위원소 질량
- 461.22022309
개요
Bitolterol is the di-4-toluate ester of (+-)-N-tert-butylnoradrenaline (colterol). A pro-drug for colterol, a beta2-adrenergic receptor agonist, bitolterol is used as its methanesulfonate salt for relief of bronchospasm in conditions such as asthma, chronic bronchitis and emphysema. It has a role as a beta-adrenergic agonist, a bronchodilator agent, an anti-asthmatic drug and a prodrug. It is a member of ethanolamines, a carboxylic ester, a secondary alcohol, a secondary amino compound and a diester.
이름 및 식별자
- 우선 이름
- Bitolterol
- IUPAC
- [4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
- 영어명
- Bitolterol
- 분자식
- C28H31NO5
- 분자량
- 461.55
이름 및 동의어
Bitolterol30392-40-6BitolterolumDTXSID10226839KY0QXD6LICHEBI:3133DTXCID002683Benzoic acid, 4-methyl-, 4-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-1,2-phenylene ester4-(2-(tert-butylamino)-1-hydroxyethyl)-o-phenylene di-p-toluate4-[2-(tert-Butylamino)-1-hydroxyethyl]-o-phenylene di-p-toluatebis(4-methylbenzoic acid) 4-[2-(tert-butylamino)-1-hydroxyethyl]-1,2-phenylene esterbitolterolo
이름 더 보기
C06853Bitolterol USP/EP/BPBis(p-toluic acid)4-[2-(tert-butylamino)-1-hydroxyethyl]-1,2-phenylene esterBis(4-methylbenzoic acid)4-[2-(tert-butylamino)-1-hydroxyethyl]-1,2-phenylene ester
bis(4-methylbenzoic acid) 4-(2-(tert-butylamino)-1-hydroxyethyl)-1,2-phenylene esterRefChem:120554R03AC175-(2-(tert-butylamino)-1-hydroxyethyl)-2-(4-methylbenzoyloxy)phenyl 4-methylbenzoate[4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoateWIN 32784Bitolterol (INN)Benzoic acid, 4-methyl-, 1,1'-[4-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-1,2-phenylene] ester
데이터베이스 식별자
- CAS
30392-40-6- PubChem CID
- 35330
- DTXSID
DTXSID1022683- ChEMBL
CHEMBL1201295- ChEBI
CHEBI:3133- UNII
- 9KY0QXD6LI
- Nikkaji
- J20.258D
물성
구조 계산 물성
- XLogP
- 5.2
- 극성 표면적
- 84.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 658
실험 및 물리화학적 성질
Human DrugsBreast Feeding; Lactation; Milk, Human; Anti-Asthmatic Agents; Bronchodilator Agents; Beta Adrenergic Agonists
물리화학적 성질
- 끓는 점
- 640.5 · 640.5±55.0 °C(Predicted)
- 밀도
- 1.169 · 1.169±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.61 · 13.61±0.20(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
독성 정보
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
Bitolterol
DILI Negative
DOI:10.1016/j.drudis.2019.09.022
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
화학 및 산업
약리 정보
ATC Code
R - Respiratory system
QR - Respiratory system
Pharmacodynamics
Bitolterol, an adrenergic bronchodilator, is a prodrug that widens constricted airways in the lungs by relaxing the smooth muscles that surround the bronchial passages. Bitolterol probably does not affect the inflammation in the lung, such as in bronchitis. Bitolterol is unique in that it is a prodrug because it must first be metabolized by the body before it becomes active.
Mechanism of Action
Bitolterol is an adrenergic beta-2 agonist. Asthma results from a narrowing of the bronchial tubes. This narrowing is caused by muscle spasm and inflammation within the bronchial tubes. Agonism of the beta-2 adrenergic receptors by bitolterol leads to a relaxation of the smooth muscles surrounding these airway tubes which then increases the diameter and ease of air flow through the tubes.
MeSH Pharmacological Classification
Agents that cause an increase in the expansion of a bronchus or bronchial tubes.
Compounds bind to and activate ADRENERGIC BETA-2 RECEPTORS.
응용 분야
용도Bitolterol is a is a β2-adrenergic receptor agonist used for the relief of bronchospasm in conditions such as asthma and COPD.
공급사7 곳
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