4-クロロ-5-ブロモ-1H-インドール-3-イルβ-D-ガラクトピラノシド

X-Gal

HCID 65181
ノート反応
部分構造検索類似構造を探す

基本情報

CAS
7240-90-6
標準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
分子式
C14H15BrClNO6
平均分子量
408.63 g/mol
単同位体質量
406.97713

名称と識別子

優先名称
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
現地名
4-クロロ-5-ブロモ-1H-インドール-3-イルβ-D-ガラクトピラノシド
英語名
5-Bromo-4-chloro-3-indolyl-beta-D-galactoside
分子式
C14H15BrClNO6
分子量
408.63

名称と別名

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-ylRefChem:1021685-bromo-4-chloro-3-indolyl-beta D-galactopyranoside230-640-85-Bromo-4-chloro-3-(beta-D-galactopyranosyloxy)indoleBCIG
名称をさらに表示
(5-ブロモ-4-クロロ-1H-インドール-3-イル)β-D-ガラクトピラノシド4-クロロ-5-ブロモ-1H-インドール-3-イルβ-D-ガラクトピラノシド5-ブロモ-4-クロロ-3-インドリル-β-D-ガラクトピラノシドX-ガル5-ブロモ-4-クロロ-3-インドリル-β-D-ガラクトシド(4-クロロ-5-ブロモ-1H-インドール-3-イル)β-D-ガラクトピラノシド5-ブロモ-4-クロロ-1H-インドール-3-イルβ-D-ガラクトピラノシド5-ブロモ-4-クロロ-3-インドリルβ-D-ガラクトピラノシド [生化学用]5‐ブロモ‐4‐クロロ‐3‐インドリル‐Β‐D‐ガラクトシド5-ブロモ-4-クロロ-3-インドリル-Β-D-ガラクトピラノシド (X-GAL)エックス-ガルエックス-ギャル5-ブロモ-4-クロロ-3-インドリル Β-D-ガラクトピラノシド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-galactopyranosideC14H15BrClNO6(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-ylM02699

データベース識別子

CAS
7240-90-6
PubChem CID
65181
DTXSID
DTXSID901349452
ChEMBL
CHEMBL1242856
ChEBI
CHEBI:75055
UNII
V595OG374W
EC Number
230-640-8
Nikkaji
J212.257J

物性

構造計算による物性

XLogP
1.2
極性表面積
115 Ų
水素結合供与体数
5
水素結合受容体数
6
回転可能結合数
3
重原子数
23

実験および物理化学的性質

Physical DescriptionSolid; [Merck Index] White powder; [Sigma-Aldrich MSDS]

物理化学的性質

融点
230 °C · 230 °C
比旋光度
-64 · -64 º (C=1, H2O/DMF (1/1))
沸点
673.9 · 673.9±55.0 °C(Predicted)
比重(密度)
1.5563 · 1.5563 (rough estimate)
屈折率
1.611 · 1.6110 (estimate)
貯蔵温度
-20 °C · -20°C

化学的性質

化学的特性White Powder

安全と法規制

GHS分類

GHS Classification · 6 件

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]；H312 (80%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (80%): Harmful if inhaled [Warning Acute toxicity, inhalation]

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.；Reported as not meeting GHS hazard criteria per 2 of 10 reports by companies.；There are 2 notifications provided by 8 of 10 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

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%)；Acute Tox. 4 (80%)；Acute Tox. 4 (80%)

法規制情報

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

安全データ

F
8-10-21
wgk
3
hs_code
29389090
risk_code
36/37/38
hazard_code
Xi
safety_code
24/25-37/39-26

化学と産業

薬理情報

MeSH Pharmacological Classification · 1 件

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).

用途と製造

UsesChromogenic substrate of beta-galactosidase used in histological staining and cloning experiments of bacteria; [Merck Index]
応用分野 · 3 件

用途組織・細胞等の組織化学用。

用途β-ガラクトシダーゼの測定基質。

使用A substrate for -Galactosidase that is converted by the enzyme into an intense indigo-blue chromophore (615 nm)

サプライヤー100 社

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
南京百芙利科技有限责任公司25-25-58740604 15951658055 · [email protected]
補足説明 · 1 件

定義ChEBI: 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.

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