基本情報
- CAS
82-76-8- 標準SMILES
O=S(=O)(O)c1cccc2cccc(Nc3ccccc3)c12- InChIKey
FWEOQOXTVHGIFQ-UHFFFAOYSA-N- 分子式
- C16H13NO3S
- 平均分子量
- 299.3 g/mol
- 単同位体質量
- 299.06161445
概要
8-anilinonaphthalene-1-sulfonic acid is a naphthalenesulfonic acid that is naphthalene-1-sulfonic acid substituted by a phenylamino group at position 8. It has a role as a fluorescent probe. It is a naphthalenesulfonic acid and an aminonaphthalene.
名称と識別子
- 優先名称
- 8-Anilino-1-naphthalenesulfonic acid
- IUPAC
- 8-anilinonaphthalene-1-sulfonic acid
- 現地名
- 8-アニリノ-1-ナフタレンスルホン酸
- 英語名
- 8-Anilino-1-naphthalenesulfonic acid
- 分子式
- C16H13NO3S
- 分子量
- 299.34
名称と別名
8-Anilino-1-naphthalenesulfonic acid82-76-88-anilinonaphthalene-1-sulfonic acidPhenylperi acid1-Anilino-8-naphthalenesulfonate1-Anilino-8-naphthalenesulfonic acid1-(Phenylamino)-8-naphthalenesulfonic acid1-Naphthalenesulfonic acid, 8-(phenylamino)-1,8-ANSAnilinonaphthalenesulfonic acidNSC-1746630I4V6051
名称をさらに表示
8-アニリノ-1-ナフタレンスルホン酸1-フェニルアミノ-8-ナフタレンスルホン酸8-(フェニルアミノ)-1-ナフタレンスルホン酸1-(フェニルアミノ)-8-ナフタレンスルホン酸1-(フェニルアミノ)ナフタレン-8-スルホン酸8-(フェニルアミノ)ナフタレン-1-スルホン酸1-アニリノナフタレン-8-スルホン酸N-フェニルペリ酸8-アニリノナフタレン-1-スルホン酸1-アニリノ-8-ナフタレンスルホン酸フェニルペリ酸N-フェニル-1-ナフチルアミン-8-スルホン酸フェニル酸1-フェニルアミノナフタリン-8-スルホン酸N‐フェニル‐1‐ナフチルアミン‐8‐スルホン酸1-アニリノナフタレン-8-スルホナート8-アニリノ-1-ナフタレンスルホナート8-(フェニルアミノ)ナフタレン-1-スルホナート8-アニリノナフタレン-1-スルホン酸アニオン
物性
構造計算による物性
- XLogP
- 3.5
- 極性表面積
- 74.8 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 3
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 439
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
PolymersNitrogen Compounds -> Amines, Polyaromatic
Physical DescriptionGray powder; [Aldrich MSDS]
物理化学的性質
- 融点
- 215 · 215-217 °C (dec.)(lit.)
- 比重(密度)
- 1.409 · 1.409±0.06 g/cm3(Predicted)
- 貯蔵温度
- Sealed in dry,Room Temperature
- 溶解性
- 50 mg/mL · DMF：可溶50mg/mL
- 酸解離定数(Pka)
- 0.19 · 0.19±0.40(Predicted)
- 外見
- 粉
- 色
- ダークグリーンからブラウン、ブラック
- Merck
- 13 · 13,664
- BRN
- 1843887 · 1843887
- 主な用途
- 診断アッセイの製造血液学組織学
- InChI
- InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
- InChIKey
- FWEOQOXTVHGIFQ-UHFFFAOYSA-N
- SMILES
- C1(S(O)(=O)=O)=C2C(C=CC=C2NC2=CC=CC=C2)=CC=C1
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
Warning
H302 (78.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 14 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: 1-Naphthalenesulfonic acid, 8-(phenylamino)-
REACH registered substance: 8-anilinonaphthalene-1-sulphonic acid (EC: 201-438-7)
1-Naphthalenesulphonic acid, 8-(phenylamino)-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; Targets the liver and kidney; [Aldrich MSDS] See 8-Anilino-1-naphthalenesulfonic acid hemimagnesium.
Hazard Classes and CategoriesAcute Tox. 4 (78.6%)
安全データ
- wgk
- -
- tsca
- TSCA listed
- hs_code
- 29214980
- risk_code
- 36-36/37/38
- 化審法
- (4)-535
- hazard_code
- Xi
- safety_code
- 26-36
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
MeSH Pharmacological Classification
Chemicals that emit light after excitation by light. The wave length of the emitted light is usually longer than that of the incident light. Fluorochromes are substances that cause fluorescence in other substances, i.e., dyes used to mark or label other compounds with fluorescent tags.
用途と製造
UsesUsed as a fluorescent probe for protein studies; Was used to make aniline dyes; [Merck Index]
General Manufacturing Information1-Naphthalenesulfonic acid, 8-(phenylamino)-: ACTIVE
応用分野
説明1,8-ANS is a fluorescent dye that binds with high affinity to hydrophobic surfaces of proteins. 1,8-ANS has an excitation maximum of 350 nm. It has an emission maximum of 520 nm when free in solution but undergoes a blue shift with an increase in fluorescence intensity when bound to protein; for example, when bound to intestinal fatty acid binding protein (FABP2) it has emission maxima of 468-477 nm. 1,8-ANS binds to low polarity regions of protein surfaces making it well suited for determining the affinity of hydrophobic ligands to their corresponding binding proteins, such as the binding of free fatty acids to FABPs. 1,8-ANS binds to FABP2 with a Kd value of approximately 9.7 μM at 24.5°C.
使用8-Anilino-1-naphthalenesulfonic Acid is used as a fluorescent probe to identify hydrophobic sites. Dyes and metabolites.
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