기본 정보
- CAS
184036-34-8- 표준 SMILES
Cc1cc2c(cc1CC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl)OCO2- InChIKey
PHWXUGHIIBDVKD-UHFFFAOYSA-N- 분자식
- C18H15ClN2O6S2
- 평균 분자량
- 454.9 g/mol
- 단동위원소 질량
- 454.0060062
이름 및 식별자
- 우선 이름
- Sitaxentan
- IUPAC
- N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide
- 영어명
- N-(4-chloro-3-methyl-oxazol-5-yl)-2-[2-(6-methylbenzo[1,3]dioxol-5-yl)acetyl]thiophene-3-sulfonamide
- 분자식
- C18H15ClN2O6S2
- 분자량
- 0
이름 및 동의어
SitaxsentanSitaxentan184036-34-8TBC-11251TBC11251TBC 11251DTXSID0057673N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamideIPI 1040IPI-1040J9QH779MEMDTXCID1031462
이름 더 보기
Unii-J9qh779memSitaxentan [INN]3-Thiophenesulfonamide, N-(4-chloro-3-methyl-5-isoxazolyl)-2-((6-methyl-1,3-benzodioxol-5-yl)acetyl)-N-(4-Chloro-3-methyl-5-isoxazolyl)-2-((2-methyl-4,5-methylenedioxyphenyl)acetyl)thiophene-3-sulfonamideN-(4-Chloro-3-methyl-5-isoxazolyl)-2-((3,4-(methylenedioxy)-6-methylphenyl)acetyl)-3-thiophenesulfonamide
N-(4-Chloro-3-methyl-5-isoxazolyl)-2-((4,5-(methylenedioxy)-o-toly)acetyl)-3-thiophenesulfonamideN-(4-chloro-3-methyl-5-isoxazolyl)-2-(3,4-(methylenedioxy)-6-methyl)phenylacetyl-3-thiophenesulfonamideN-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(6-methyl-2H-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamidesitaxentanumN-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-(2-(6-methyl-1,3-benzodioxol-5-yl)acetyl)thiophene-3-sulfonamideN-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-(2-(6-methyl-2H-1,3-benzodioxol-5-yl)acetyl)thiophene-3-sulfonamideRefChem:886377C02KX03
데이터베이스 식별자
- CAS
184036-34-8、210421-64-0- PubChem CID
- 216235
- DTXSID
DTXSID0057673- ChEMBL
CHEMBL282724- ChEBI
CHEBI:135736- UNII
- J9QH779MEM
- Nikkaji
- J851.117I
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 144 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 720
실험 및 물리화학적 성질
Physical DescriptionSolid
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 Rank (DILIrank 2.0)
Sitaxsentan
vMost-DILI-concern
8
Withdrawn
DOI:10.1016/j.drudis.2016.02.015
화학 및 산업
약리 정보
ATC Code
C - Cardiovascular system；C02 - Antihypertensives；C02K - Other antihypertensives；C02KX - Antihypertensives for pulmonary arterial hypertension；C02KX03 - Sitaxentan
QC - Cardiovascular system；QC02 - Antihypertensives；QC02K - Other antihypertensives；QC02KX - Antihypertensives for pulmonary arterial hypertension；QC02KX03 - Sitaxentan
Protein Binding99% +
Pharmacodynamics
Sitaxentan belongs to a class of drugs known as endothelin receptor antagonists (ERAs). Patients with PAH have elevated levels of endothelin, a potent blood vessel constrictor, in their plasma and lung tissue. Sitaxentan blocks the binding of endothelin to its receptors, thereby negating endothelin's deleterious effects.
Mechanism of Action
Sitaxentan is a competitive antagonist of endothelin-1 at the endothelin-A (ET-A) and endothelin-B (ET-B) receptors. Under normal conditions, endothelin-1 binding of ET-A or ET-B receptors causes pulmonary vasoconstriction. By blocking this interaction, Sitaxentan decreases pulmonary vascular resistance. Sitaxentan has a higher affinity for ET-A than ET-B.
Biological Half-Life10 hours
Metabolism/MetabolitesHepatic (CYP2C9- and CYP3A4-mediated)
MeSH Pharmacological ClassificationCompounds and drugs that bind to and inhibit or block the activation of ENDOTHELIN RECECPTORS.
Absorption, Distribution and Excretion
70-100%
Renal (50 to 60%) Fecal (40 to 50%)
Cellular LocationsMembrane
용도 및 제조
관련 반응
1건
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