기본 정보
- CAS
2209085-22-1- 표준 SMILES
CN(C(=O)CCOCCOCCOCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](c4ccc5ccncc5c4)CC[C@@H]32)C1- InChIKey
JECHBTRAPARMGI-GFTKVEOVSA-N- 분자식
- C53H69N5O9
- 평균 분자량
- 920.1 g/mol
이름 및 식별자
- 우선 이름
- 1-((2-(2,6-Dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)-N-((3S,5S,8R,9S,10S,13S,14S,17S)-17-(isoquinolin-7-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)-N-methyl-3,6,9,12-tetraoxapentadecan-15-amide
- IUPAC
- 3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(3S,5S,8R,9S,10S,13S,14S,17S)-17-isoquinolin-7-yl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-N-methylpropanamide
- 영어명
- JH-XI-10-02
- 분자식
- C53H69N5O9
- 분자량
- 920.15
이름 및 동의어
JH-XI-10-022209085-22-11-((2-(2,6-Dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)-N-((3S,5S,8R,9S,10S,13S,14S,17S)-17-(isoquinolin-7-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)-N-methyl-3,6,9,12-tetraoxapentadecan-15-amideN-[(1S,3aS,3bR,5aS,7S,9aS,9bS,11aS)-1-(isoquinolin-7-yl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]-1-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]amino}-N-methyl-3,6,9,12-tetraoxapentadecan-15-amideCHEMBL4176300orb1707920SCHEMBL29881270GLXC-20910BDBM50361157AKOS0407408223-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-[(3S,5S,8R,9S,10S,13S,14S,17S)-17-isoquinolin-7-yl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-N-methylpropanamideDA-54533
이름 더 보기
JH-X1-10-02
물성
구조 계산 물성
- XLogP
- 7.2
- 극성 표면적
- 166 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 19
- 무거운 원자 수
- 67
- 형식 전하
- 0
- 복잡도
- 1,770
물리화학적 성질
- 밀도
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 100 mg/mL · DMSO : 100 mg/mL (108.68 mM; Need ultrasonic)
- 산도 계수 (pKa)
- 10.74 · 10.74±0.40(Predicted)
- 물리적 상태
- Solid
- 색상
- Yellow to brown
화학 및 산업
공급사15 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]
Aladdin Scientific[email protected]
銳迪國際科技有限公司18024082417 · [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]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Shenyang Zhongshen Zekang Biomedical Technology Research Co., Ltd+86-18341751992 +86-15382112998 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
吉林省沃达生物科技有限公司13504435624 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海传芊化工科技中心15869524721 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
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