기본 정보
- CAS
2451862-42-1- 표준 SMILES
COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC[C@H]4CCNC4)cc3c2n1[C@H](C)c1ccccc1- InChIKey
ZORLJXWXFABTPZ-CTNGQTDRSA-N- 분자식
- C30H33N5O3
- 평균 분자량
- 511.6 g/mol
- 단동위원소 질량
- 511.25833993
이름 및 식별자
- 우선 이름
- 4-(2-(Methoxymethyl)-1-((R)-1-phenylethyl)-8-((S)-pyrrolidin-3-ylmethoxy)-1H-imidazo[4,5-c]quinolin-7-yl)-3,5-dimethylisoxazole
- IUPAC
- 4-[2-(methoxymethyl)-1-[(1R)-1-phenylethyl]-8-[[(3S)-pyrrolidin-3-yl]methoxy]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
- 영어명
- GSK778
- 분자식
- C30H33N5O3
- 분자량
- 511.61
이름 및 동의어
GSK7782451862-42-14-(2-(Methoxymethyl)-1-((R)-1-phenylethyl)-8-((S)-pyrrolidin-3-ylmethoxy)-1H-imidazo[4,5-c]quinolin-7-yl)-3,5-dimethylisoxazoleiBET-BD14-(2-(methoxymethyl)-1-((R)-1-phenylethyl)-8-(((S)-pyrrolidin-3-yl)methoxy)-1H-imidazo[4,5-c]quinolin-7-yl)-3,5-dimethylisoxazole4-[2-(methoxymethyl)-1-[(1~{R})-1-phenylethyl]-8-[[(3~{S})-pyrrolidin-3-yl]methoxy]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole4-[2-(methoxymethyl)-1-[(1R)-1-phenylethyl]-8-[[(3S)-pyrrolidin-3-yl]methoxy]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazoleCompound 624-[2-(Methoxymethyl)-1-[(R)-1-phenylethyl]-8-[(S)-pyrrolidin-3-ylmethoxy]-1H-imidazo[4,5-c]quinolin-7-yl]-3,5-dimethylisoxazoleLWBorb1685237CHEMBL4639128
이름 더 보기
GSK778, 10 mM in DMSOiBET-BD1 dihydrochlorideGSK778|||GSK 778|||GSK-778GSK778（iBET-BD1 dihydrochloride）iBET-BD1 dihydrochloride (GSK778)7-(3,5-Dimethyl-4-isoxazolyl)-2-(methoxymethyl)-1-[(1R)-1-phenylethyl]-8-[(3S)-3-pyrrolidinylmethoxy]-1H-imidazo[4,5-c]quinoline
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 87.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 768
물리화학적 성질
- 끓는 점
- 679.6 · 679.6±55.0 °C(Predicted)
- 밀도
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 41.67 mg/mL · DMSO : 41.67 mg/mL (81.45 mM; Need ultrasonic)
- 산도 계수 (pKa)
- 9.9 · 9.90±0.10(Predicted)
- 물리적 상태
- Solid
- 색상
- White to light yellow
- InChIKey
- ZORLJXWXFABTPZ-CTNGQTDRSA-N
- SMILES
- N1C2C(=CC(OC[C@H]3CCNC3)=C(C3=C(C)ON=C3C)C=2)C2N([C@@H](C3=CC=CC=C3)C)C(COC)=NC=2C=1
화학 및 산업
공급사47 곳
沈阳中申泽康生物医学技术研究有限公司024-88590548 18698872706 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
Aladdin Scientific[email protected]
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
河南伊诺凯新材料有限公司15670530983 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
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