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ニトロブルーテトラゾリウム

Nitro Blue Tetrazolium

HCID 9282
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
298-83-9
標準SMILES
COc1cc(-c2ccc(-[n+]3nc(-c4ccccc4)nn3-c3ccc([N+](=O)[O-])cc3)c(OC)c2)ccc1-[n+]1nc(-c2ccccc2)nn1-c1ccc([N+](=O)[O-])cc1
InChIKey
JPXMTWWFLBLUCD-UHFFFAOYSA-N
分子式
C40H30N10O6+2
平均分子量
746.7 g/mol
単同位体質量
746.23497872

概要

Nitro blue tetrazolium(2+) is an organic cation.

名称と識別子

優先名称
Nitro Blue Tetrazolium
IUPAC
2-[2-methoxy-4-[3-methoxy-4-[3-(4-nitrophenyl)-5-phenyltetrazol-2-ium-2-yl]phenyl]phenyl]-3-(4-nitrophenyl)-5-phenyltetrazol-2-ium
現地名
ニトロブルーテトラゾリウム
英語名
Nitrotetrazolium blue chloride
分子式
C40H30ClN10O6+
分子量
782.19

名称と別名

NITROBLUE TETRAZOLIUMNitroblue tetrazolium ionNitroblue tetrazolium cation9GLB9XVS9NBlue, NitrotetrazoliumNitro tetrazolium BT7695-60-52H-Tetrazolium, 2,2'-(3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(3-(4-nitrophenyl)-5-phenyl-DTXSID4048309Tetrazolium nitro BTNBT (dye)Tetrazolium Nitro Blue
名称をさらに表示
ニトロブルーテトラゾリウムニトロブルーテトラゾリウムクロリド2,2'-ジ(4-ニトロフェニル)-5,5'-ジフェニル[3,3'-(3,3'-ジメトキシビフェニル-4,4'-ジイル)ビス(2H-テトラゾール-3-イウム)]·ジクロリド塩化ニトロブルーテトラゾリウムニトロテトラゾリウムブルーニトロテトラゾリウムBTニトロBTテトラゾリウムニトロブルーp-ニトロテトラゾリウムブルー3,3'-(3,3'-ジメトキシビフェニル-4,4'-ジイル)ビス[5-フェニル-2-(p-ニトロフェニル)-2H-テトラゾール-3-イウム]·ジクロリド3,3'-(3,3'-ジメトキシビフェニル-4,4'-ジイル)ビス[2-(4-ニトロフェニル)-5-フェニル-2H-テトラゾール-3-イウム]·ジクロリドNBT【染料】ニトロテトラゾリウムクロリドブルー3,3'-(3,3'-ジメトキシ-4,4'-ビフェニリレン)ビス[2-(p-ニトロフェニル)-5-フェニル-2H-テトラゾール-3-イウム]·ジクロリドニトロブルーテトラゾリウム塩p-ニトロブルーテトラゾリウムNBT(染料)p-ニトロブルーテトラゾリウムクロリドテトラゾリウムニトロBTニトロブル-テトラゾリウムNBTNITRO BLUE TETRAZOLIUMNITRO BLUE TETRAZOLIUM CHLORIDENITRO BTP-NBTP-NITROTETRAZOLIUM BLUEP-NITRO BLUE TETRAZOLIUM4-NITRO BLUE TETRAZOLIUM CHLORIDENitrotetrazolium blue chloride(NBT)NBTMF
Nitroblue tetrazolium saltNitro Blue tetrazolium saltNitrotetrazolium Chloride BlueNitro-BTTetrazolium NitroblueNitroblue, TetrazoliumTetrazolium, Nitroblue2H-Tetrazolium, 3,3'-(3,3'-dimethoxy(1,1'-biphenyl))-4,4'-diyl bis(2-(4-nitrophenyl))-5-phenyl-, dichloride

データベース識別子

CAS
298-83-9、7695-60-5
PubChem CID
9282
DTXSID
DTXSID4048309
ChEMBL
CHEMBL1185260
ChEBI
CHEBI:7586
UNII
9GLB9XVS9N
EC Number
206-067-4
Nikkaji
J239.196A

物性

構造計算による物性

XLogP
12
極性表面積
179 Ų
水素結合供与体数
0
水素結合受容体数
10
回転可能結合数
9
重原子数
56
形式電荷
2
複雑度
1,180

実験および物理化学的性質

Chemical ClassesDyes -> Other Dyes
Physical DescriptionSolid; Color varies (colorless, yellow, blue or black); [ChemIDplus]

物理化学的性質

融点
200 °C · 200°C
比重(密度)
1.5521 · 1.5521 (rough estimate)
屈折率
1.735 · 1.7350 (estimate)
貯蔵温度
2 · 2-8°C
溶解性
50 mg/mL、透明、非常に強い黄色 · メタノール: 50 mg/mL、透明、非常に強い黄色
外見
粉体・固形
色
黄色
PH
4.5 · 4.5-5.5
水溶解度
水、エタノール、メタノールに可溶。
BRN
4115923 · 4115923
安定性
安定していますが、冷蔵保存してください。
InChIKey
FSVCQIDHPKZJSO-UHFFFAOYSA-L
SMILES
[Cl-].[Cl-].COc1cc(ccc1-[n+]2nc(nn2-c3ccc(cc3)[N+]([O-])=O)-c4ccccc4)-c5ccc(c(OC)c5)-[n+]6nc(nn6-c7ccc(cc7)[N+]([O-])=O)-c8ccccc8
EPAの化学物質情報
2 H-Tetrazolium, · 2H-Tetrazolium, 2,2'-(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis[3-(4-nitrophenyl)-5-phenyl-, dichloride (298-83-9)
化学的性質 · 1 件

化学的特性NBT is a yellow crystals that can soluble in water, aqueous buffers, and dimethylformamide. Tetrazolium salts are useful in determining the metabolic activity of cells from many origins. The quaternary tetrazole ring core containing four nitrogen atoms, with a net positive charge induces cellular uptake through plasma membrane potential. This drives its use in cell biology.

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 2.6% (2 of 77) of reports.

Warning

H302 (79.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 77 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: 2H-Tetrazolium, 3,3'-(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis[2-(4-nitrophenyl)-5-phenyl-, dichloride

2H-Tetrazolium, 2,2'-(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis[3-(4-nitrophenyl)-5-phenyl-, dichloride: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 件

May be harmful after ingestion, inhalation, or skin contact; A skin, eye, and respiratory tract irritant; Target organs are liver, heart, kidneys, and eyes. May cause convulsions; LD50 (mouse) = 2000 mg/kg; [MSDSonline] Moderately toxic by ingestion. [Hawley]

Hazard Classes and CategoriesAcute Tox. 4 (79.2%)

毒性情報

Adverse EffectsNeurotoxin - Other CNS neurotoxin

安全データ

F
8-10-23
wgk
3
tsca
TSCA listed
rtecs
XF8045000
毒性
LD50 orl-mus: 2 g/kg YAKUD5 32,614,1990
hs_code
32041900
risk_code
22-68/20/21/22-20/21/22-36-36/37/38-41
消防法
危-5-II
hazard_code
Xn,Xi
safety_code
36-45-36/37-26-39
Hazard Classifications
Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス
11 - Combustible Solids

化学と産業

薬理情報

MeSH Pharmacological Classification · 1 件

Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)

用途と製造

Uses · 1 件

Formerly used to distinguish between nonbacterial and bacterial diseases, the latter causing neutrophils to reduce the dye; used to confirm diagnosis of chronic granulomatous disease. [ChemIDplus] A microscopic stain used to detect dehydrogenases and alkaline phosphatase; [Ullmann]

General Manufacturing Information2H-Tetrazolium, 2,2'-(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis[3-(4-nitrophenyl)-5-phenyl-, chloride (1:2): ACTIVE
応用分野 · 4 件

用途臨床検査薬。こはく酸脱水素酵素、クレアチンホスホキナーゼの検出ならびに定量。

説明Nitro Blue Tetrazolium (NBT) is a chromogenic substrate that, like other tetrazolium compounds, can be reduced to produce a colored formazan derivative. It is used in the “NBT test” to evaluate the activity of NADPH oxidase in phagocytes, which results in the production of blue reduced NBT formazan in normal cells but not in those from patients with chronic granulomatous disease. NBT can also be used as a chromogenic activity stain for oxidoreductases in gels or solutions. More commonly NBT is often paired with 5-bromo-4-chloro-3-inolyl phosphate (PCIB) for the colorimetric detection of alkaline phosphatase activity. Alkaline phosphate converts PCIB to a product that reduces NBT to its formazan derivative, resulting in a black-purple precipitate.

使用Nitrotetrazolium Blue Chloride is a Tetrazolium dye used in colorimetric assays. It can be used to assess cell viability as a function of redox potential. Intense blue dye used in histochemistry determinations. actively respiring cells convert the water-soluble NBT to a deep blue-colored precipitate.

一般的な説明Nitrotetrazolium Blue chloride (NBT) is a colorless to yellow dye that is reducible to blue or black formazan crystals by certain cells; formerly used to distinguish between nonbacterial and bacterial diseases, the latter causing neutrophils to reduce the dye; used to confirm diagnosis of chronic granulomatous disease.

上流・下流製品情報

上流原料

o-ジアニシジン二塩酸塩亜硝酸イソアミルエタノールベンズアルデヒドテトラヒドロフラン4-ニトロフェニルヒドラジン

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補足説明

定義ChEBI: Nitro blue tetrazolium dichloride is an organic chloride salt having nitro blue tetrazolium(2+) as the counterion. It contains a nitro blue tetrazolium(2+).

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