4-フルオロ-L-フェニルアラニン

4-fluoro-L-phenylalanine

HCID 716312

基本情報

CAS
1132-68-9
標準SMILES
N[C@@H](Cc1ccc(F)cc1)C(=O)O
InChIKey
XWHHYOYVRVGJJY-QMMMGPOBSA-N
分子式
C9H10FNO2
平均分子量
183.18 g/mol
単同位体質量
183.06955672

名称と識別子

優先名称
4-fluoro-L-phenylalanine
IUPAC
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid
現地名
4-フルオロ-L-フェニルアラニン
英語名
L-4-Fluorophenylalanine
分子式
C9H10FNO2
分子量
183.18

名称と別名

1132-68-94-FLUORO-L-PHENYLALANINEp-Fluoro-L-phenylalanineL-4-Fluorophenylalanine(s)-4-fluorophenylalanine(2S)-2-amino-3-(4-fluorophenyl)propanoic acidL-Phenylalanine, 4-fluoro-S-(-)-p-FluorophenylalanineE2K2VDK6KKCHEBI:44909DTXSID201017098CHEBI:84060
名称をさらに表示
4-フルオロ-L-フェニルアラニン(S)-3-(4-フルオロフェニル)-2-アミノプロピオン酸p-フルオロフェニルアラニン(S)-3-(4-フルオロフェニル)-2-アミノプロパン酸(S)-2-アミノ-3-(4-フルオロフェニル)プロパン酸p-フルオロ-L-フェニルアラニン(S)-2-アミノ-3-(4-フルオロフェニル)プロピオン酸(S)-4-フルオロフェニルアラニンL-4-フルオロ-フェニルアラニン4-フルオロ-Phe-OH(2S)-2-アミノ-3-(4-フルオロフェニル)プロパン酸L-4-F-PheL-4-F-Phe-OHL-4-F-Phe-0HL-4-FLUOROPHEH-PHE(P-F)-OHL-Phe(4-F)-OHH-L-PHE(4-F)-OH4-FLUORO-PHE-OH
RefChem:523460DTXCID401475290601-248-84-Fluorophenylalanineh-phe(4-f)-oh(s)-2-amino-3-(4-fluorophenyl)propanoic acidMFCD00063064UNII-E2K2VDK6KK

データベース識別子

CAS
1132-68-9、60-17-3
PubChem CID
716312
DTXSID
DTXSID201017098
ChEMBL
CHEMBL1235242
ChEBI
CHEBI:44909
UNII
E2K2VDK6KK
EC Number
200-459-9、601-248-8
Nikkaji
J863J

物性

構造計算による物性

XLogP
-1.9
極性表面積
63.3 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
13

物理化学的性質

融点
255 °C · ~255 °C (dec.)
比旋光度
-26.5 · -26.5 º (c=1, H2O 25 ºC)
沸点
313.3 · 313.3±32.0 °C(Predicted)
比重(密度)
1.1939 · 1.1939 (estimate)
貯蔵温度
Keep in dark place,Inert atmosphere,Room temperature
溶解性
Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.

化学的性質

化学的特性white to off-white powder

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 3 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 1 of 3 reports by companies.;There are 2 notifications provided by 2 of 3 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

Hazard Classes and CategoriesAcute Tox. 4 (66.7%);Acute Tox. 4 (66.7%);Skin Irrit. 2 (33.3%);Eye Irrit. 2 (33.3%);Acute Tox. 4 (66.7%);STOT SE 3 (33.3%)

安全データ

wgk
3
rtecs
DW1765000
hs_code
29224999
hazard_note
Harmful
safety_code
23-24/25

化学と産業

応用分野

使用4-Fluoro-L-phenylalanine is a substrate for tyrosine hydroxylase (TH) that has been used to study the regulation of that enzyme.

調製方法

純化方法It is recrystallised from aqueous EtOH. The (R)-N-acetyl derivative has m 142-145o, [] D -38.6o (c 8, EtOH). [Bennett & Nieman J Am Chem Soc 72 1800 1950, Beilstein 14 III 1268.]

サプライヤー6 社

上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
DONBOO AMINO ACID COMPANY13063595538 · [email protected]

補足説明

定義ChEBI: A L-phenylalanine derivative that is L-phenylalanine in which the hydrogen at position 4 on the benzene ring is replaced by a fluoro group.

関連反応

7 件

化合物ノート

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