기본 정보
- CAS
103177-37-3- 표준 SMILES
O=C(Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12)c1ccc(OCCCCc2ccccc2)cc1- InChIKey
NBQKINXMPLXUET-UHFFFAOYSA-N- 분자식
- C27H23N5O4
- 평균 분자량
- 481.5 g/mol
- 단동위원소 질량
- 481.17500423
개요
N-[4-oxo-2-(2H-tetrazol-5-yl)-1-benzopyran-8-yl]-4-(4-phenylbutoxy)benzamide is a member of chromones.
이름 및 식별자
- 우선 이름
- Pranlukast
- IUPAC
- N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-4-(4-phenylbutoxy)benzamide
- 영어명
- Pranlukast
- 분자식
- C27H23N5O4
- 분자량
- 481.5
이름 및 동의어
Pranlukast103177-37-3AzlaireOno-1078ONO 1078Ono-RS-411N-[4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl]-4-(4-phenylbutoxy)benzamideCCN 00401RS 411SB 205312pranlukastumONO-RS 411
이름 더 보기
Ononrs411Ultairono1078PrenastPrandtlPranlukasemihydrate
DTXSID3043782CCN-00401RS-411SB-205312TB8Z891092DTXCID1023782N-(4-Oxo-2-(1H-tetrazol-5-yl)-4H-1-benzopyran-8-yl)-p-(4-phenylbutoxy)benzamide8-(4 (4-phenylbutoxy)benzoyl)amino-2-(tetrazol-5'-yl)-4-oxo-4H-1-benzopyran
데이터베이스 식별자
- CAS
103177-37-3- PubChem CID
- 4887
- DTXSID
DTXSID3043782- ChEMBL
CHEMBL11350、CHEMBL21333- ChEBI
CHEBI:94810- UNII
- TB8Z891092
- EC Number
- 808-178-9
- Nikkaji
- J326.578A
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 119 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 778
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 녹는점
- 236 · 236-238°C
- 밀도
- 1.374 · 1.374±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- 용해도
- DMSO에 용해됨(최대 25mg/ml)
- 산도 계수 (pKa)
- 4.96 · 4.96±0.10(Predicted)
- 물리적 상태
- 고체
- 색상
- 하얀색
- Merck
- 14 · 14,7710
- 안정성
- 1 · 제공된 대로 구매일로부터 1년 동안 안정적입니다. DMSO의 솔루션은 -20°C에서 최대 1개월 동안 보관할 수 있습니다.
- InChIKey
- NBQKINXMPLXUET-UHFFFAOYSA-N
- SMILES
- C(NC1=C2OC(C3=NNN=N3)=CC(=O)C2=CC=C1)(=O)C1=CC=C(OCCCCC2=CC=CC=C2)C=C1
화학적 성질
Off-white solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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 CategoriesSkin Irrit. 2 (100%)
독성 정보
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
Pranlukast
DILI Positive
DOI:10.1016/j.drudis.2019.09.022
안전 데이터
- rtecs
- CV5647500
- 독성
- LD50 in male mice (mg/kg): >1000 i.v. (Toda)
- HS 번호
- 2934.99.4400
- risk_code
- 11-34
- hazard_code
- F,C
- safety_code
- 16-26-36/37/39-45
화학 및 산업
약리 정보
ATC Code
R - Respiratory system
QR - Respiratory system
PharmacodynamicsPranlukast is a cysteinyl leukotriene receptor-1 antagonist.
Mechanism of Action
Pranlukast selectively antagonizes leukotriene D<sub>4</sub> (LTD<sub>4</sub>) at the cysteinyl leukotriene receptor, CysLT<sub>1</sub>, in the human airway. Pranlukast inhibits the actions of LTD<sub>4</sub> at the CysLT<sub>1</sub> receptor, preventing airway edema, smooth muscle contraction, and enhanced secretion of thick, viscous mucus.
Metabolism/MetabolitesHepatic
MeSH Pharmacological Classification
Drugs that are used to treat asthma.
A class of drugs designed to prevent leukotriene synthesis or activity by blocking binding at the receptor level.
응용 분야
개요Pranlukast, a novel chromone derivative, was introduced in Japan for the treatment of bronchial asthma and allergic diseases. Pranlukast is a highly potent, selective and competitive antagonist of peptidoleukotrienes with high affinity for the LTD4 receptor. In patients with bronchial asthma, pranlukast was reported to induce significant improvement in both immediate and late asthmatic response induced by antigen. Pranlukast is also being evaluated clinically for the treatment of perennial allergic rhinitis, pediatric asthma, and cutaneous pruritus in dialysis patients. The therapeutic potential of pranlukast in managing irritable bowel syndrome has been suggested.
용도Labeled Pranlukast, intended for use as an internal standard for the quantification of Pranlukast by GC- or LC-mass spectrometry.
상·하류 제품 정보
상류 원료
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