베이60-6583
2-((6-Amino-3,5-dicyano-4-(4-(cyclopropylmethoxy)phenyl)-2-pyridinyl)thio)acetamide
기본 정보
- CAS
910487-58-0- 표준 SMILES
N#Cc1c(N)nc(SCC(N)=O)c(C#N)c1-c1ccc(OCC2CC2)cc1- InChIKey
ZTYHZMAZUWOXNC-UHFFFAOYSA-N- 분자식
- C19H17N5O2S
- 평균 분자량
- 379.4 g/mol
- 단동위원소 질량
- 379.11029598
개요
BAY 60-6583 is a member of the class of cyanopyridines that is 6-amino-3,5-dicyano-4-(4-hydroxyphenyl)-2-sulfanylpyridine in which the hydroxy and sulfanyl hydrogens are replaced by cyclopropylmethyl and carboxamidomethyl groups respectively. It has a role as an adenosine A2B receptor agonist, an anti-inflammatory agent and a cardioprotective agent. It is a cyanopyridine, a monocarboxylic acid amide, an aromatic ether, an aryl sulfide, an aminopyridine and a member of cyclopropanes.
이름 및 식별자
- 우선 이름
- 2-((6-Amino-3,5-dicyano-4-(4-(cyclopropylmethoxy)phenyl)-2-pyridinyl)thio)acetamide
- IUPAC
- 2-[[6-amino-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]-2-pyridinyl]sulfanyl]acetamide
- 현지명
- 베이60-6583
- 영어명
- Bay 60-6583
- 분자식
- C19H17N5O2S
- 분자량
- 379.44
이름 및 동의어
BAY 60-6583910487-58-0BAY60-6583CHEBI:131358RefChem:9090132-((6-Amino-3,5-dicyano-4-(4-(cyclopropylmethoxy)phenyl)-2-pyridinyl)thio)acetamideBAY-60-65832-({6-amino-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]pyridin-2-yl}sulfanyl)acetamideBR 4887UAT5472LHHSCHEMBL2295404CHEMBL4202825
이름 더 보기
베이60-6583CAS:910487-58-0BAY 606583,BAY 60 6583BAY 60-6583, 10 mM in DMSO2-[[6-Amino-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]-2-pyridinyl]thio]-acetamideAcetamide, 2-[[6-amino-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]-2-pyridinyl]thio]-2-((6-Amino-3,5-dicyano-4-(4-(cyclopropylmethoxy)phenyl)pyridin-2-yl)thio)acetamide , BAY 60-6583
DTXSID301028169BAY 60-6583-13C2,15NBAY 606583E989802-((6-Amino-3,5-dicyano-4-(4-(cyclopropylmethoxy)phenyl)pyridin-2-yl)thio)acetamide2-[6-amino-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]pyridin-2-yl]sulfanylacetamideQ48347042-[6-azanyl-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]pyridin-2-yl]sulfanylethanamide
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 164 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 629
물리화학적 성질
- 끓는 점
- 684.8 · 684.8±55.0 °C(Predicted)
- 밀도
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- DMSO에 용해됨
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 14.98 · 14.98±0.40(Predicted)
- 색상
- 흰색에서 베이지색
- InChI
- 1S/C19H17N5O2S/c20-7-14-17(12-3-5-13(6-4-12)26-9-11-1-2-11)15(8-21)19(24-18(14)23)27-10-16(22)25/h3-6,11H,1-2,9-10H2,(H2,22,25)(H2,23,24)
- InChIKey
- ZTYHZMAZUWOXNC-UHFFFAOYSA-N
- SMILES
- NC1=C(C#N)C(C2=CC=C(OCC3CC3)C=C2)=C(C#N)C(SCC(N)=O)=N1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationCompounds that selectively bind to and activate ADENOSINE A2 RECEPTORS.
응용 분야
용도BAY 60-6583 is a potent and selective adenosine A2B receptor agonist. BAY 60-6583 shows protective effects against ischemia in both the heart and kidney in animal models. BAY 60-6583 is also a useful therapeutic drug in the treatment of acute lung injury.
추가 설명
정의ChEBI: A member of the class of cyanopyridines that is 6-amino-3,5-dicyano-4-(4-hydroxyphenyl)-2-sulfanylpyridine in which the hydroxy and sulfanyl hydrogens are replaced by cyclopropylmethyl and carboxamidomethyl groups respectively.
관련 반응
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