X-Gal
기본 정보
- CAS
7240-90-6- 표준 SMILES
OC[C@H]1O[C@@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)[C@H](O)[C@@H](O)[C@H]1O- InChIKey
OPIFSICVWOWJMJ-AEOCFKNESA-N- 분자식
- C14H15BrClNO6
- 평균 분자량
- 408.63 g/mol
- 단동위원소 질량
- 406.97713
개요
5-bromo-4-chloro-3-indolyl beta-D-galactoside is an indolyl carbohydrate that is the beta-D-galactoside of 3-hydroxy-1H-indole in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively. It is used to test for the presence of an enzyme, beta-galactosidase, which cleaved the glycosidic bond to give 5-bromo-4-chloro-3-hydroxy-1H-indole, which immediately dimerises to give an intensely blue product. It has a role as a chromogenic compound. It is an indolyl carbohydrate, a beta-D-galactoside, an organochlorine compound, an organobromine compound and a D-aldohexose derivative.
이름 및 식별자
- 우선 이름
- X-Gal
- IUPAC
- (2S,3R,4S,5R,6R)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
- 영어명
- 5-Bromo-4-chloro-3-indolyl-beta-D-galactoside
- 분자식
- C14H15BrClNO6
- 분자량
- 408.63
이름 및 동의어
X-Gal7240-90-65-Bromo-4-chloro-3-indolyl beta-galactosideV595OG374W5-bromo-4-chloro-1H-indol-3-yl beta-D-galactopyranoside5-bromo-4-chloroindol-3-yl beta-D-galactopyranosidebeta-D-Galactopyranoside, 5-bromo-4-chloro-1H-indol-3-yl5-bromo-4-chloro-3-indolyl-beta D-galactopyranosideRefChem:102168230-640-85-Bromo-4-chloro-3-(beta-D-galactopyranosyloxy)indoleBCIG
이름 더 보기
X-β-GAL5-BROMO-4-CHLORO-3-INDOLYL-β-D-GALACTOPYRANOSIDE (X-GAL)Bromo Dβ-D-GaLabs9126X-BETA-GALX-gal/BCIGoro-3-indoL
5-Bromo-4-chloro-3-indolyl-beta-D-galactosideMFCD000056665-Bromo-4-chloro-3-indolyl beta-D-galactopyranoside(2S,3R,4S,5R,6R)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol5-Bromo-4-chloroindol-3-yl-beta-D-galactopyranoside.beta.-D-Galactopyranoside, 5-bromo-4-chloro-1H-indol-3-ylM026995-Bromo-4-chloro-3-indolyl-beta-D-galactopyranoside
물성
구조 계산 물성
- XLogP
- 1.2
- 극성 표면적
- 115 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 421
실험 및 물리화학적 성질
Chemical ClassesOther Uses -> Biochemical Research
Physical DescriptionSolid; [Merck Index] White powder; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 230 °C · 230 °C
- 끓는 점
- 673.9 · 673.9±55.0 °C(Predicted)
- 밀도
- 1.5563 · 1.5563 (rough estimate)
- 굴절률
- 1.611 · 1.6110 (estimate)
- 저장 조건
- -20 °C · -20°C
- 용해도
- 100 mM에 · DMSO에서 100 mM에 용해됩니다.
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 12.74 · 12.74±0.70(Predicted)
- 색상
- 하얀색
- 냄새
- 냄새 없는
- Merck
- 14 · 14,10074
- BRN
- 1402009 · 1402009
- 안정성
- 안정적인. 강한 산화제와 호환되지 않습니다.
- InChI
- 1S/C14H15BrClNO6/c15-5-1-2-6-9(10(5)16)7(3-17-6)22-14-13(21)12(20)11(19)8(4-18)23-14/h1-3,8,11-14,17-21H,4H2/t8-,11+,12+,13-,14-/m1/s1
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 20% (2 of 10) of reports.
Warning
H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 10 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information5-Bromo-4-chloro-3-indolyl-beta-D-galactoside: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See Indole and 5-Bromo-4-chloro-3-indoxyl phosphate.
Hazard Classes and CategoriesAcute Tox. 4 (80%)
안전 데이터
- wgk
- 3
- HS 번호
- 2938909090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25-37/39-26
- 위험 등급
- IRRITANT
- F 고인화성물질
- 8-10-21
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Colorless, endogenous or exogenous pigment precursors that may be transformed by biological mechanisms into colored compounds; used in biochemical assays and in diagnosis as indicators, especially in the form of enzyme substrates. Synonym: chromogens (not to be confused with pigment-synthesizing bacteria also called chromogens).
용도 및 제조
UsesChromogenic substrate of beta-galactosidase used in histological staining and cloning experiments of bacteria; [Merck Index]
응용 분야
용도A substrate for -Galactosidase that is converted by the enzyme into an intense indigo-blue chromophore (615 nm)
추가 설명
정의ChEBI: An indolyl carbohydrate that is the beta-D-galactoside of 3-hydroxy-1H-indole in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively. It is used to test for he presence of an enzyme, beta-galactosidase, which cleaved the glycosidic bond to give 5-bromo-4-chloro-3-hydroxy-1H-indole, which immediately dimerises to give an intensely blue product.
관련 반응
8건
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