N-Acetyl-L-tyrosine (HCID 68310)

概要

N-acetyl-L-tyrosine is an N-acetyltyrosine in which the chiral centre has L configuration. It has a role as a biomarker, an EC 2.1.1.4 (acetylserotonin O-methyltransferase) inhibitor and a human urinary metabolite. It is a N-acetyltyrosine and a N-acyl-L-tyrosine. It is a conjugate acid of a N-acetyl-L-tyrosinate.

名称と識別子

優先名称: N-Acetyl-L-tyrosine
IUPAC: (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoic acid
現地名: N-アセチル-L-チロシン
英語名: N-Acetyl-L-tyrosine
分子式: C11H13NO4
分子量: 223.23

名称と別名

N-Acetyl-L-tyrosineN-AcetyltyrosineAcetyl tyrosineL-Tyrosine, N-acetyl-L-Tyrosine, acetyl-DTXSID7046045N-Acetyltyrosine (VAN)UNII-DA8G610ZO5L-N-acetyl-TyrosineTANOGEN HBTYR-EXCELACETYL L-TYROSINE

名称をさらに表示

N-アセチル-L-チロシンアセチルチロシンアセチル-L-チロシン, N-AC-TYR-OHACETYL-L-TYROSINEACETYLTYROSINEN-ACEYL-L-TYROSINEn-acetyl-l-tyrosin-tyrosineN-Acetyl-Thiazolidine-4-carboxylic acid amino acidN-Ac-TyrN-AC-L-TYR

EINECS 208-671-3NSC 10853Tyrosine, N-acetyl-, L-L-TYROSINE, N-ACETYLDTXCID5026045N-ACETYL-L-TYROSINE [USP-RS]N-ACETYLTYROSINE [EP MONOGRAPH](2S)-2-(acetylamino)-3-(4-hydroxyphenyl)propanoic acid

データベース識別子

CAS: 537-55-3
PubChem CID: 68310
DTXSID: DTXSID7046045
ChEMBL: CHEMBL65543
ChEBI: CHEBI:21563
UNII: DA8G610ZO5
EC Number: 208-671-3
Nikkaji: J62.819K

物性

構造計算による物性

XLogP: -0.2
極性表面積: 86.6 Å²
水素結合供与体数: 3
水素結合受容体数: 4
回転可能結合数: 4
重原子数: 16
形式電荷: 0
複雑度: 259

実験および物理化学的性質

DrugsPharmaceuticals -> Listed in ZINC15

Cosmetics · 2 件

Cosmetic ingredients (Acetyl Tyrosine) -> CIR (Cosmetic Ingredient Review)

Tanning

LogP1.320

Solubility297 mg/mL

Boiling Point530.00 to 533.00 °C. @ 760.00 mm Hg

Melting Point · 2 件

149-152

149 - 152 °C

物理化学的性質

融点: 149 · 149-152 °C(lit.)
比旋光度: 47.5 · 47.5 º (c=2, water)
沸点: 364.51 °C · 364.51°C (rough estimate)
比重(密度): 1.2446 · 1.2446 (rough estimate)
屈折率: 1.496 · 1.4960 (estimate)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: 2 O: · H2O: 可溶性25mg/mL
外見: 結晶性
酸解離定数(Pka): 3.15 · 3.15±0.10(Predicted)
色: ホワイトからオフホワイト
水溶解度: 水 (25 mg/ml)、エタノールに可溶。
BRN: 2697172 · 2697172
安定性: 安定。強力な酸化剤とは相容れない。
主な用途: 医薬品（低分子化合物）
化粧品成分の機能: スキンコンディショニング日焼け
InChI: 1S/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16)/t10-/m0/s1
InChIKey: CAHKINHBCWCHCF-JTQLQIEISA-N
SMILES: CC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
LogP: 1.32 · 1.320
CAS データベース: 537 · 537-55-3(CAS DataBase Reference)
NISTの化学物質情報: N-acetyl-Tyr(537-55-3)
EPAの化学物質情報: N-Acetyl-L-tyrosine (537-55-3)

化学的性質 · 1 件

化学的特性N-Acetyl-L-Tyrosine is a white crystalline powder that is an acetyl derivative of the amino acid, L-tyrosine. It is freely soluble in water compared to L-tyrosine and is commonly used as a parenteral nutrition supplement. N-Acetyl-L-tyrosine , a stable and more soluble form of tyrosine , has been incorporated in some currently available commercial parenteral amino acid formulations such as TrophAmine and Aminosyn-II.

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 15.5% (61 of 394) of reports.

Danger

H318 (84.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 394 reports by companies from 4 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 2 件

Chemical: L-Tyrosine, N-acetyl-

L-Tyrosine, N-acetyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazard Classes and CategoriesEye Dam. 1 (84.3%)

毒性情報

Toxicity Summary · 2 件

The panel concluded that the 115 amino acid alkyl amides listed below are safe in the present practices of use and concentration in cosmetics, when formulated to be non-irritating...Acetyl Tyrosine

Safe for use in cosmetics, with qualifications

安全データ

F: 10
wgk: 3
tsca: TSCA listed
hs_code: 29242995
risk_code: 41-36/37/38
化審法: (9)-1599
hazard_code: Xi
safety_code: 26-39-36
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

PharmacodynamicsN-acetyltyrosine is used as a high solubility precursor to [DB00135] used due to [DB00135]'s poor solubility. It is deacetylated to form [DB00135].

Mechanism of ActionUsed as a source of [DB00135]. See [DB00135] for more information on its role and pharmacology.

Absorption, Distribution and Excretion · 1 件

N-acetyltyrosine is eliminated in the urine. The extent of urinary elimination versus utilization in the tissues appears to be related to the rapidity of infusion. When infused slowly in standard doses as in the clinical setting, about 35% is excreted unchanged in the urine. When larger doses are infused rapidly, much higher amounts are excreted reaching values up to 56%. In rat studies it was found that of the drug eliminated in the urine about 74% is present as unchanged N-acetyltyrosine and 23% is present as tyrosine.

Cellular LocationsCytoplasm

用途と製造

UsesCIR ingredient: Acetyl Tyrosine

Use ClassificationCosmetics -> Tanning

General Manufacturing InformationL-Tyrosine, N-acetyl-: ACTIVE

応用分野

用途有機合成原料。

使用N-Acetyl-L-tyrosine is involved in catecholamine production. It can be used as a cell culture media component in the commercial biomanufacture of therapeutic recombinant proteins and monoclonal antibodies.

上流・下流製品情報

上流原料

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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]

補足説明 · 2 件

定義本品は、チロシン(*)をアセチル化したものであり、次の化学式で表される。参照表示名称：チロシン

定義ChEBI: N-acetyl-L-tyrosine is an N-acetyltyrosine in which the chiral centre has L configuration. It has a role as an EC 2.1.1.4 (acetylserotonin O-methyltransferase) inhibitor, a biomarker and a human urinary metabolite. It is a N-acyl-L-tyrosine and a N-acetyltyrosine. It is a conjugate acid of a N-acetyl-L-tyrosinate.

N-アセチル-L-チロシン

基本情報

概要