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바이톨테롤메실레이트

Bitolterol Mesylate

HCID 35329
노트반응
기본 정보개요이름 및 식별자물성화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
30392-41-7
표준 SMILES
CS(=O)(=O)O.Cc1ccc(C(=O)Oc2ccc(C(O)CNC(C)(C)C)cc2OC(=O)c2ccc(C)cc2)cc1
InChIKey
HODFCFXCOMKRCG-UHFFFAOYSA-N
분자식
C29H35NO8S
평균 분자량
557.7 g/mol
단동위원소 질량
557.20833825

개요

Bitolterol Mesylate is the mesylate salt of bitolterol, a diester sympathomimetic amine with bronchodilator activity. As an ester prodrug, bitolterol is hydrolyzed by esterases to its active metabolite colterol (N-t-butylarterenol). Colterol selectively binds to and activates beta-2 adrenergic receptors in bronchiolar smooth muscle, thereby causing stimulation of adenyl cyclase, the enzyme that catalyzes the conversion of adenosine triphosphate (ATP) to cyclic-3',5'-adenosine monophosphate (cAMP). Increased intracellular cAMP levels cause relaxation of bronchial smooth muscle. This increases air flow and prevents bronchospasms and may eventually lead to an improvement of airway function.

이름 및 식별자

우선 이름
Bitolterol Mesylate
IUPAC
[4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;methanesulfonic acid
현지명
바이톨테롤메실레이트
영어명
(tert-butyl)[beta-hydroxy-3,4-bis(p-toluoyloxy)phenethyl]ammonium methanesulphonate
분자식
C45H64N2O5S
분자량
745.06506

이름 및 동의어

BITOLTEROL MESYLATE30392-41-7TornalateBitolterol mesilateBitolterol mesilatBitolterol methanesulfonateWIN-32784WIN 32,7844E53T3611UDTXSID80952735CHEBI:3134Tomalate
이름 더 보기
바이톨테롤메실레이트BitolS-1540BiterolEffectinBitoterol Methanesulfonate(tert-butyl)[β-hydroxy-3,4-bis(p-toluoyloxy)phenethyl]ammonium methanesulphonate(tert-butyl)[β-hydroxy-3,4-bis(p-toluoyloxy)phenethyl]ammonium methanesulphonate
RefChem:57429DTXCID701380810WIN 37284250-177-5Alpha-(tert-butylaminomethyl)-3,4-dihydroxybenzyl alcohol 3,4-di(p-toluate) MethanesulfonateBitolterol mesylate [USAN]BITOLTEROL (Mesylate)WIN 32784

데이터베이스 식별자

CAS
30392-41-7
PubChem CID
35329
DTXSID
DTXSID80952735
ChEMBL
CHEMBL1200405
UNII
4E53T3611U
EC Number
250-177-5

물성

구조 계산 물성

극성 표면적
148 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
9
회전 가능 결합 수
10
무거운 원자 수
39
형식 전하
0
복잡도
751

실험 및 물리화학적 성질

Human Drugs · 2건

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

물리화학적 성질

녹는점
170 · 170-172°
저장 조건
Refrigerator
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
고체
색상
미색부터 밝은 베이지까지

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

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 · 2건

개요Bitolterol is a prodrug that releases colterol on activation by esterases in the lung. Colterol is a direct-acting agonist, and the N-t-butyl group makes it β2-selective with a binding potency equivalent to that of isoetharine and terbutaline. The ester form is lipophilic, which helps to keep it local in the lung and resistant to COMT, which tends to increase its duration of action. Onset begins 2 to 4 minutes after administration, and the effect can last as long as 8 hours. It has a adverse effect profile similar to that of other β2-selective agonists, with less drowsiness and restlessness compared to other direct-acting agonists.

용도β2-adrenergic receptor agonist

공급사12 곳

陕西缔都新材料有限公司81124267 17392282731 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
Chongqing jooe co., ltd+86-15223382610 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]

추가 설명

정의ChEBI: The methanesulfonate salt of bitolterol. A beta2-adrenergic receptor agonist, it is used for relief of bronchospasm in conditions such as asthma, chronic bronchitis and emphysema.

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