기본 정보
- CAS
1192364-56-9- 표준 SMILES
C[C@H]1CN([C@@H](C)C(=O)O)[C@@H](C)CN([C@@H](C)C(=O)NCCSSc2ccccn2)[C@@H](C)CN([C@@H](C)C(=O)O)[C@@H](C)CN1[C@@H](C)C(=O)O- InChIKey
BVEXZTXAUQXVNC-CAQMSIDYSA-N- 분자식
- C31H52N6O7S2
- 평균 분자량
- 684.9 g/mol
- 단동위원소 질량
- 684.33389037
이름 및 식별자
- 우선 이름
- (S)-M8-SPy
- IUPAC
- (2S)-2-[(2S,5S,8S,11S)-7,10-bis[(1S)-1-carboxyethyl]-2,5,8,11-tetramethyl-4-[(2S)-1-oxo-1-[2-(pyridin-2-yldisulfanyl)ethylamino]propan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid
- 현지명
- (S)-M8-스파이
- 영어명
- (S)-M8-SPy
- 분자식
- C31H52N6O7S2
- 분자량
- 684.91
이름 및 동의어
(S)-M8-SPy1192364-56-9DTXSID30858152(2S)-2-[(2S,5S,8S,11S)-7,10-bis[(1S)-1-carboxyethyl]-2,5,8,11-tetramethyl-4-[(2S)-1-oxo-1-[2-(pyridin-2-yldisulfanyl)ethylamino]propan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid(2S,2'S,2''S)-2,2',2''-{(2S,5S,8S,11S)-2,5,8,11-Tetramethyl-10-[(2S)-1-oxo-1-({2-[(pyridin-2-yl)disulfanyl]ethyl}amino)propan-2-yl]-1,4,7,10-tetraazacyclododecane-1,4,7-triyl}tripropanoic acid(S)-M8-스파이(α1S,α4S,α7S,2S,5S,8S,11S)-α1,α4,α7,2,5,8,11-HeptaMethyl-10-[(1S)-1-Methyl-2-oxo-2-[[2-(2-pyridinyldithio)ethyl]aMino]ethyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetic Acid1,4,7,10-Tetraazacyclododecane-1,4,7-triaceticacid, a1,a4,a7,2,5,8,11-heptamethyl-10-[(1S)-1-methyl-2-oxo-2-[[2-(2-pyridinyldithio)ethyl]amino]ethyl]-,(a1S,a4S,a7S,2S,5S,8S,11S)-1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, α1,α4,α7,2,5,8,11-heptamethyl-10-[(1S)-1-methyl-2-oxo-2-[[2-(2-pyridinyldithio)ethyl]amino]ethyl]-, (α1S,α4S,α7S,2S,5S,8S,11S)-
데이터베이스 식별자
- CAS
1192364-56-9
물성
구조 계산 물성
- XLogP
- -3.7
- 극성 표면적
- 217 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 1,010
물리화학적 성질
- 끓는 점
- 854.118 · 854.118±65.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.29 · 1.290±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 용해도
- 물(약간 용해됨)
- 물리적 상태
- 저융점 고체
- 산도 계수 (pKa)
- 1.976 · 1.976±0.10(predicted)
- 색상
- 황백색에서 연한 노란색
- 안정성
- 흡습성
화학 및 산업
응용 분야
용도(S)-M8-SPy is a new lanthanide chelating tag (M8) for paramagnetic labeling of biomols. is presented, which is based on an eight-fold, stereoselectively methyl-substituted DOTA that can be covalently linked to the host molecule by a single disulfide bond. The steric overcrowding of the DOTA scaffold leads to an extremely rigid, kinetically and chemically inert lanthanide chelator. Due to its exceptionally high stability and lanthanide affinity M8 can be used under extreme chemical or physical conditions, such as those applied for protein denaturation, or when it is undesirable that buffer or protein react with excess lanthanide ions.
공급사2 곳
凯试(上海)科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…