기본 정보
- CAS
344930-95-6- 표준 SMILES
COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(=O)n3cccc(OCCN4CCCCC4)c3n1)C2=O- InChIKey
DRZXDZYWZSKFDL-UHFFFAOYSA-N- 분자식
- C27H32N4O7S
- 평균 분자량
- 556.6 g/mol
- 단동위원소 질량
- 556.19917055
개요
6-methoxy-1,1-dioxo-2-[[4-oxo-9-[2-(1-piperidinyl)ethoxy]-2-pyrido[1,2-a]pyrimidinyl]oxymethyl]-4-propan-2-yl-1,2-benzothiazol-3-one is a pyridopyrimidine.
이름 및 식별자
- 우선 이름
- Ssr-69071
- IUPAC
- 6-methoxy-1,1-dioxo-2-[[4-oxo-9-(2-piperidin-1-ylethoxy)pyrido[1,2-a]pyrimidin-2-yl]oxymethyl]-4-propan-2-yl-1,2-benzothiazol-3-one
- 영어명
- SSR 69071
- 분자식
- C27H32N4O7S
- 분자량
- 556.63
이름 및 동의어
344930-95-6SSR 69071SSR69071SSR-69071DTXSID1047368Z96REB2D8HDTXCID9027368RefChem:1852266-methoxy-1,1-dioxo-2-[[4-oxo-9-(2-piperidin-1-ylethoxy)pyrido[1,2-a]pyrimidin-2-yl]oxymethyl]-4-propan-2-yl-1,2-benzothiazol-3-one2-((6-Methoxy-1,1-dioxido-3-oxo-4-(propan-2-yl)-1,2-benzothiazol-2(3H)-yl)methoxy)-9-(2-(piperidin-1-yl)ethoxy)-4H-pyrido(1,2-a)pyrimidin-4-one2-(4-Isopropyl-6-methoxy-1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzod)isothiazol-2-ylmethoxy)-9-(2-piperidin-1-yl-ethoxy)-pyrido1,2-a)pyrimidin-4-one4-Isopropyl-6-methoxy-1,1-dioxo-2-((4-oxo-9-(2-(1-piperidyl)ethoxy)pyrido(1,2-a)pyrimidin-2-yl)oxymethyl)-1,2-benzothiazol-3-one
이름 더 보기
2-[[6-Methoxy-4-(1-methylethyl)-1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl]methoxy]-9-[2-(1-piperidinyl)ethoxy]-4H-pyrido[1,2-a]pyrimidin-4-one4H-Pyrido[1,2-a]pyrimidin-4-one, 2-[[6-methoxy-4-(1-methylethyl)-1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl]methoxy]-9-[2-(1-piperidinyl)ethoxy]-
4H-Pyrido(1,2-a)pyrimidin-4-one, 2-((6-methoxy-4-(1-methylethyl)-1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)methoxy)-9-(2-(1-piperidinyl)ethoxy)-6-Methoxy-1,1-dioxo-2-((4-oxo-9-(2-piperidin-1-ylethoxy)pyrido(1,2-a)pyrimidin-2-yl)oxymethyl)-4-propan-2-yl-1,2-benzothiazol-3-oneHMS3269M074-isopropyl-6-methoxy-1,1-dioxo-2-[[4-oxo-9-[2-(1-piperidyl)ethoxy]pyrido[1,2-a]pyrimidin-2-yl]oxymethyl]-1,2-benzothiazol-3-oneUNII-Z96REB2D8HMLS006010264orb1704907SCHEMBL4295477
데이터베이스 식별자
- CAS
344930-95-6- PubChem CID
- 9872438
- DTXSID
DTXSID1047368- ChEMBL
CHEMBL1354892- ChEBI
CHEBI:93283- UNII
- Z96REB2D8H
- Nikkaji
- J3.789.104E
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 126 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 1,200
실험 및 물리화학적 성질
Collision Cross Section226.9 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID1047368]
물리화학적 성질
- 저장 조건
- 4 °C · Store at +4°C
- 용해도
- DMSO에 용해됨
- 물리적 상태
- 고체
- 색상
- 회백색
화학 및 산업
응용 분야
개요SSR 69071 is a potent inhibitor of neutrophil elastase (Ki = 0.0168 nM for the human enzyme). It is selective for human neutrophil elastase over rat, mouse, and rabbit elastases (Kis = 3, 1.8, 58 nM, respectively). It inhibits human neutrophil elastase ex vivo in mouse bronchoalveolar lavage (BAL) fluid (ED50 = 10.5 mg/kg, p.o.). In vivo, SSR 69071 (2.8 mg/kg, p.o.) reduces acute lung hemorrhage induced by human neutrophil elastase in mice. It reduces carrageenan- and human neutrophil elastase-induced paw edema in rats (ED30s = 2.2 and 2.7 mg/kg, respectively). SSR 69071 also reduces cardiac infarct size when administered prior to ischemia or reperfusion in a rabbit model of ischemia-reperfusion injury.
용도SSR 69071 is a novel and orally active elastase inhibitor.
공급사13 곳
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
济南九黎生物科技有限公司15865264761 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…