기본 정보
- CAS
530-08-5- 표준 SMILES
CCC(NC(C)C)C(O)c1ccc(O)c(O)c1- InChIKey
HUYWAWARQUIQLE-UHFFFAOYSA-N- 분자식
- C13H21NO3
- 평균 분자량
- 239.31 g/mol
- 단동위원소 질량
- 239.15214353
개요
Isoetharine is a catecholamine.
이름 및 식별자
- 우선 이름
- Isoetharine
- IUPAC
- 4-[1-hydroxy-2-(propan-2-ylamino)butyl]benzene-1,2-diol
- 현지명
- 아이소에타린
- 영어명
- isoetarine
- 분자식
- C13H21NO3
- 분자량
- 239.313
이름 및 동의어
isoetharineIsoetarineDilabronEtyprenalineIsoetarin530-08-5IsoetarinaNeoisuprelIsoetarinumWin-34064-{1-hydroxy-2-[(propan-2-yl)amino]butyl}benzene-1,2-diolDTXSID9048560
이름 더 보기
아이소에타린BronkometerEtypronalineisoetarine USP/EP/BP
1,2-Benzenediol, 4-(1-hydroxy-2-((1-methylethyl)amino)butyl)-WIN3406EtyprenalinumWIN-30464-(1-hydroxy-2-((propan-2-yl)amino)butyl)benzene-1,2-diol1,2-Benzenediol, 4-[1-hydroxy-2-[(1-methylethyl)amino]butyl]-Mesylate, IsoetharineRefChem:791859
데이터베이스 식별자
- CAS
530-08-5、79490-84-9- PubChem CID
- 3762
- DTXSID
DTXSID9048560- ChEMBL
CHEMBL1201213- ChEBI
CHEBI:6005- EC Number
- 208-472-1
- Nikkaji
- J6.696F
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 72.7 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 223
실험 및 물리화학적 성질
LogP2.2
Solubility
Appreciable
3.18e+00 g/L
Human Drugs
Breast Feeding; Lactation; Milk, Human; Anti-Asthmatic Agents; Bronchodilator Agents; Beta Adrenergic Agonists
Pharmaceuticals
Physical DescriptionSolid
Collision Cross Section157.69 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 끓는 점
- 429.3 · 429.3±40.0 °C(Predicted)
- 밀도
- 1.142 · 1.142±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.59 · 9.59±0.10(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
독성 정보
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
화학 및 산업
약리 정보
ATC Code
R - Respiratory system
R - Respiratory system
QR - Respiratory system
QR - Respiratory system
Pharmacodynamics
Isoetharine is a beta-adrenergic receptor agonist. While it is reported to demonstrate more selectivity towards beta-2 adrenergic receptors, isoetharine still binds to beta-1 adrenergic receptors and thus may be associated with beta-1-mediated adverse events. Isoetharine produces maximal bronchodilation within 15 minutes of inhalation.
Mechanism of Action
Isoetharine-induced bronchodilator occurs from an increased activity of adenyl cyclase, which augments the formation of cyclic AMP (cAMP). Increased levels of cAMP result in the relaxation of bronchial smooth muscle, stimulation of ciliary activity, and potential improvement in capillary integrity.
Metabolism/MetabolitesIsoetharine is rapidly metabolized once inhaled.
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.
Cellular LocationsMembrane
용도 및 제조
Use ClassificationPharmaceuticals
응용 분야
개요Isoetharine is a direct-acting sympathomimetic with relatively low selectivity with β2-adrenoreceptors. However, it quickly calms bronchospasms better than more selective bronchodilators.
용도Bronchodilator.
관련 반응
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