기본 정보
- CAS
896683-84-4- 표준 SMILES
O=C(CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCc1ccccc1)NCC1CCCO1- InChIKey
GJKRCJKXXVVAMV-UHFFFAOYSA-N- 분자식
- C27H32N4O4S
- 평균 분자량
- 508.6 g/mol
- 단동위원소 질량
- 508.21442669
개요
2-[[6-(4-morpholinyl)-4-oxo-3-(2-phenylethyl)-2-quinazolinyl]thio]-N-(2-oxolanylmethyl)acetamide is a member of quinazolines.
이름 및 식별자
- 우선 이름
- 2-[[6-(4-morpholinyl)-4-oxo-3-(2-phenylethyl)-2-quinazolinyl]thio]-N-(2-oxolanylmethyl)acetamide
- IUPAC
- 2-[6-morpholin-4-yl-4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
- 영어명
- Acetamide, 2-[[3,4-dihydro-6-(4-morpholinyl)-4-oxo-3-(2-phenylethyl)-2-quinazolinyl]thio]-N-[(tetrahydro-2-furanyl)methyl]-
- 분자식
- C27H32N4O4S
- 분자량
- 508.63
이름 및 동의어
896683-84-4BC-14712-[[3,4-Dihydro-6-(4-morpholinyl)-4-oxo-3-(2-phenylethyl)-2-quinazolinyl]thio]-N-[(tetrahydro-2-furanyl)methyl]acetamide2-[[6-(4-morpholinyl)-4-oxo-3-(2-phenylethyl)-2-quinazolinyl]thio]-N-(2-oxolanylmethyl)acetamide2-[6-morpholin-4-yl-4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamideSMR0003107992-{[6-morpholin-4-yl-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazolin-2-yl]thio}-N-(tetrahydrofuran-2-ylmethyl)acetamideAcetamide, 2-((3,4-dihydro-6-(4-morpholinyl)-4-oxo-3-(2-phenylethyl)-2-quinazolinyl)thio)-N-((tetrahydro-2-furanyl)methyl)-Acetamide, 2-[[3,4-dihydro-6-(4-morpholinyl)-4-oxo-3-(2-phenylethyl)-2-quinazolinyl]thio]-N-[(tetrahydro-2-furanyl)methyl]-MLS000621872MLS003881817orb1685369
이름 더 보기
BC-1471, 10 mM in DMSOIL-1β,Inhibitor,STAM-binding protein,inhibit,BC-1471,BC1471,DUBs,STAMBP,NALP7,BC 1471,Deubiquitinase
CHEMBL1303211CHEBI:109375HMS2735L03EX-A6818AKOS002098226AKOS0217237832-{[6-(morpholin-4-yl)-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamideDA-70486
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 109 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 784
물리화학적 성질
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 50 mg/mL · DMSO : 50 mg/mL (98.30 mM; Need ultrasonic)
- 물리적 상태
- Solid
- 색상
- White to off-white
화학 및 산업
공급사11 곳
Aladdin Scientific[email protected]
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [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]
上海源叶生物科技有限公司18916372613 · [email protected]
上海立崎生物医学研究中心18014399201 · [email protected]
南通全益生物科技有限公司+86-0513; 18051384581 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
苏州优睿科化工医药科技有限公司15317229551 · [email protected]
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