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기본 정보
- CAS
202189-78-4- 표준 SMILES
CCOCCn1c(C2CCN(CCc3ccc(C(C)(C)C(=O)O)cc3)CC2)nc2ccccc21- InChIKey
ACCMWZWAEFYUGZ-UHFFFAOYSA-N- 분자식
- C28H37N3O3
- 평균 분자량
- 463.6 g/mol
- 단동위원소 질량
- 463.28349204
개요
Bilastine is a member of benzimidazoles.
이름 및 식별자
- 우선 이름
- Bilastine
- IUPAC
- 2-[4-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acid
- 영어명
- Bilastine
- 분자식
- C28H37N3O3
- 분자량
- 463.62
이름 및 동의어
Bilastine202189-78-4Ilaxten2-[4-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acidBilastinaDTXSID5057678PA1123N395DTXCID6031467Bilastinump-(2-(4-(1-(2-Ethoxyethyl)-2-benzimidazolyl)piperidino)ethyl)-alpha-methylhydratropic acid2-[4-(2-{4-[1-(2-ethoxyethyl)-1H-1,3-benzodiazol-2-yl]piperidin-1-yl}ethyl)phenyl]-2-methylpropanoic acid2-(4-(2-(4-(1-(2-ethoxyethyl)-1H-1,3-benzodiazol-2-yl)piperidin-1-yl)ethyl)phenyl)-2-methylpropanoic acid
이름 더 보기
Bilastin2-(4-(2-(4-(1-(2-ETHOXYETHYL)-1H-BENZO[D ]IMIDAZOL-2-YL) PIPERIDIN-1-YL)ETHY)PHEN YL)-2-METHYLPROPANOIC ACIDBilatexBilastenBilestinBilasteneD6-Bilastine
2-(4-(2-(4-(1-(2-ethoxyethyl)benzimidazol-2-yl)piperidin-1-yl)ethyl)phenyl)-2-methylpropanoic acidRefChem:568338R06AX292-(4-(2-(4-(1-(2-ethoxyethyl)-1H-benzo[d]imidazol-2-yl)piperidin-1-yl)ethyl)phenyl)-2-methylpropanoic acidBilaxtenBilastine [INN]MFCD09837814GTPL11579
물성
구조 계산 물성보충 중
- XLogP
- 2.3
- 극성 표면적
- 67.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 641
실험 및 물리화학적 성질
Drugs
Pharmaceuticals -> Listed in ZINC15
Pharmaceuticals -> Used in Switzerland
Human DrugsBreast Feeding; Lactation; Milk, Human; Antihistamines; Nonsedating Antihistamines; Histamine Antagonists
물리화학적 성질
- 녹는점
- 202 °C · 202 °C
- 끓는 점
- 639.1 · 639.1±55.0 °C(Predicted)
- 밀도
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 수용성
- 물에 불용성
- 용해도
- 49.3 · DMSO:49.3(Max Conc. mg/mL);106.34(Max Conc. mM)
- 산도 계수 (pKa)
- 4.4 · 4.40±0.10(Predicted)
- 물리적 상태
- powder to crystal
- 색상
- 흰색에서 밝은 노란색
- InChI
- 1S/C28H37N3O3/c1-4-34-20-19-31-25-8-6-5-7-24(25)29-26(31)22-14-17-30(18-15-22)16-13-21-9-11-23(12-10-21)28(2,3)27(32)33/h5-12,22H,4,13-20H2,1-3H3,(H,32,33)
- InChIKey
- ACCMWZWAEFYUGZ-UHFFFAOYSA-N
- SMILES
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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. 4 (100%)
독성 정보
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
안전 데이터
- wgk
- WGK 3
- HS 번호
- 2933.39.4100
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
ATC Code
R06AX29
R - Respiratory system
S - Sensory organs
QR - Respiratory system
QS - Sensory organs
Protein BindingBilastine is 84-90% bound to human plasma proteins.
PharmacodynamicsBilastine is an antiallergenic and acts to reduce allergic symptoms such as nasal congestion and urticaria.
Mechanism of Action
Bilastine is a selective histamine H1 receptor antagonist (Ki = 64nM). During allergic response mast cells undergo degranulation which releases histamine and other subastances. By binding to and preventing activation of the H1 receptor, bilastine reduces the development of allergic symptoms due to the release of histamine from mast cells.
Biological Half-LifeThe mean half life of elimination is 14.5h.
Metabolism/MetabolitesBilastine does not interact with the cytochrome P450 system and does not undergo significant metabolism in humans.
Absorption, Distribution and Excretion
Bilastine has a Tmax of 1.13 h. The absolute bioavailability is 61%. No accumulation observed with daily dosing of 20-100 mg after 14 days. Cmax decreased by 25 % and 33% when taken with a low fat and high fat meal compared to fasted state. Administration with grapefruit juice decreased Cmax by 30%.
Bilastine is mainly excreted in the feces (66.5%) with some excreted in the urine (28.3%). Nearly all is excreted as the parent compound.
Bilastine has a total clearance is 9.20 L/h and a renal clearance of 8.7 L/h.
Metabolite PathwaysBilastine H1-Antihistamine Action
응용 분야
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