기본 정보
- CAS
37067-30-4- 표준 SMILES
CC(=O)N[C@H]1[C@H](Oc2ccc3c(C)cc(=O)oc3c2)O[C@H](CO)[C@@H](O)[C@@H]1O- InChIKey
QCTHLCFVVACBSA-JVNHZCFISA-N- 분자식
- C18H21NO8
- 평균 분자량
- 379.4 g/mol
- 단동위원소 질량
- 379.12671663
개요
RN given refers to (beta)-isomer
이름 및 식별자
- 우선 이름
- 4-Methylumbelliferyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
- IUPAC
- N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]acetamide
- 영어명
- 4-Methylumbelliferyl-N-acetyl-beta-D-glucosaminide
- 분자식
- C18H21NO8
- 분자량
- 379.37
이름 및 동의어
37067-30-44-methylumbelliferyl 2-acetamido-2-deoxy-beta-D-glucopyranosideDTXSID20885659MUABG4-methylumbelliferyl-N-acetyl-beta-glucosamine4-MU-Glc-NAcRefChem:5257434-MUAGDTXCID7010250242H-1-benzopyran-2-one, 7-(((2-acetylamino)-2-deoxy-beta-D-glucopyranosyl)oxy)-4-methyl-253-333-0MFCD00065481
이름 더 보기
4-MU-β-NAGGLCNAC1-B-4MUGLCNAC1-BETA-4MU4-MU-BETA-D-GLCNAC-2-((4-methyl-2-oxo-2H-chromen-7-yl)4-Methylumbelliferyl-N-acetyl-beta-D-4-Methylumbelliferyl-2-acetamido-2-deoxy-4-Methylumbelliferyl-β-N-acetylglucosamine4-Methylumbelliferyl-β-N-acetylglucosaminide
2H-1-Benzopyran-2-one,7-[[2-(acetylamino)-2-deoxy-b-D-glucopyranosyl]oxy]-4-methyl-4-Methylumbelliferyl 2-acetamido-2-deoxy-b-D-glucopyranoside4-Methylumbelliferyl-2-acetamido-2-deoxy-|A-D-glucopyranoside4-Methylumbelliferyl-N-acetyl-beta-D-glucosaminideC18H21NO8N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]oxan-3-yl]acetamide4-MU-GlcNAc4-Methylumbelliferyl-2-acetamido-2-deoxy-beta-D-glucopyranoside
물성
구조 계산 물성
- XLogP
- -0.8
- 극성 표면적
- 135 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 608
실험 및 물리화학적 성질
Chemical ClassesOther Uses -> Biochemical Research
Physical DescriptionWhite solid; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 208 · 208-210 °C
- 끓는 점
- 507.24 °C · 507.24°C (rough estimate)
- 밀도
- 1.4163 · 1.4163 (rough estimate)
- 굴절률
- 1.574 · 1.5740 (estimate)
- 저장 조건
- -20 °C · -20°C
- 용해도
- 20 mg/mL, · DMF: 20mg/mL, 투명, 무색
- 물리적 상태
- 결정질 고체
- 산도 계수 (pKa)
- 12.87 · 12.87±0.70(Predicted)
- 색상
- 흰색에서 황백색까지
- BRN
- 1693397 · 1693397
- 안정성
- 감광성 - 빛으로부터 보호
- InChIKey
- PAVCYMSNMRWMAK-DMYIEBNJSA-N
- SMILES
- [H]O[H].[H]O[H].CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc2ccc3C(C)=CC(=O)Oc3c2
- LogP
- 0.34 · 0.340 (est)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (50%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29321900
- safety_code
- 22-24/25
- F 고인화성물질
- 10-21
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing Information2H-1-Benzopyran-2-one, 7-[[2-(acetylamino)-2-deoxy-.beta.-D-glucopyranosyl]oxy]-4-methyl-: INACTIVE
응용 분야
용도4-METHYLUMBELLIFERYL-N-ACETYL-BETA-D-GLUCOSAMINIDE is used for the assay of b-Acetylglucosaminidase. A fluorogenic substrate used for the diagnosis of GM2 gangliosidoses in leukocytes. Genetic defects in human b-hexosaminidase isozy mes (Hex A & Hex B) result in various clinical and biochemical types of GM2 gangliosidosis. They include Tay Sachs disease, Sandhoff disease and other forms. Fluorescence: max. Abs. l = 325nm, max. Em. l = 378nm
일반 설명4-Methylumbelliferyl N-acetyl-β-D-glucosaminide (4-MUF-NAG) contains chitin monomer, N-acetyl-D-glucosamine (NAG) and a 4-methylumbelliferone (7-hydroxy-4-methylcoumarin) (4-MUF) moiety.
공급사100 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
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