N-アセチル-L-メチオニン
N-acetyl-L-methionine
基本情報
- CAS
65-82-7- 標準SMILES
CSCC[C@H](NC(C)=O)C(=O)O- InChIKey
XUYPXLNMDZIRQH-LURJTMIESA-N- 分子式
- C7H13NO3S
- 平均分子量
- 191.25 g/mol
- 単同位体質量
- 191.06161445
概要
N-acetyl-L-methionine is an L-methionine derivative that is L-methionine in which one of the amine hydrogens is substituted by an acetyl group. It has a role as a nutraceutical. It is a N-acetylmethionine, a N-acetyl-L-amino acid and a L-methionine derivative. It is a conjugate acid of a N-acetyl-L-methionine(1-). It is an enantiomer of a N-acetyl-D-methionine.
名称と識別子
- 優先名称
- N-acetyl-L-methionine
- IUPAC
- (2S)-2-acetamido-4-methylsulfanylbutanoic acid
- 現地名
- N-アセチル-L-メチオニン
- 英語名
- N-Acetyl-L-methionine
- 分子式
- C7H13NO3S
- 分子量
- 191.25
名称と別名
N-Acetyl-L-methionine65-82-7N-AcetylmethionineAcetyl-L-methionineMethionamineThiomedonAcetylmethionineL-(N-Acetyl)methionineL-Methionine, N-acetyl-MethioninAcMetMethionine, N-acetyl-, L-
名称をさらに表示
N-アセチル-L-メチオニンアセチルメチオニンメチオナミン(S)-2-[(1-オキソエチル)アミノ]-4-メチルチオブタン酸N-アセチル-DL-メチオニンアニオンN-アセチル-L-Met-OH(S)-4-メチルチオ-2-(アセチルアミノ)ブタン酸(±)-N-アセチルメチオニンアニオン(S)-2-(アセチルアミノ)-4-(メチルチオ)ブタン酸チオメドンrac-(R*)-2-(アセチルアミノ)-4-(メチルチオ)ブタン酸アニオンN-アセチルメチオニン(S)-2-(アセチルアミノ)-4-(メチルチオ)酪酸(S)-4-(メチルチオ)-2-(アセチルアミノ)ブタン酸N-アセチル-L-メチオニン, 99%NAMAC-MET-OHN-ACETYL-L-METHIONINE:AC-MET-OHn-acetyl-l-methionin01310-25GN-AC-L-MET
N-Ac-MetNalpha-acetyl-L-methionine(2S)-2-acetamido-4-methylsulfanylbutanoic acid(2S)-2-acetamido-4-(methylsulfanyl)butanoic acidFOLLICUSAN9J12WX5B6ACHEBI:21557DTXSID00883214
物性
構造計算による物性
- XLogP
- 0.1
- 極性表面積
- 91.7 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
- 5
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 172
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
Cosmetics
Cosmetic ingredients (Acetyl Methionine) -> CIR (Cosmetic Ingredient Review)
Skin conditioning
LogP-0.03
Food AdditivesNUTRIENT SUPPLEMENT -> FDA Substance added to food
Solubility307mg/mL at 25 °C
Melting Point105.5 °C
Physical DescriptionSolid
Collision Cross Section
142.6 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
142.7 Ų [M-H]-
物理化学的性質
- 融点
- 103 · 103-106 °C(lit.)
- 比旋光度
- -20 · -20 º (c=4 H2O)
- 沸点
- 235 °C · 235 °C(Press: 12 Torr)
- 比重(密度)
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
This chemical does not meet GHS hazard criteria for 57.1% (4 of 7) of all reports.
Danger
H315 (28.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 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
Regulation (EC) No 178/2002 (amended)
L-Methionine, N-acetyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (28.6%)
毒性情報
Toxicity Summary
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 Methionine
Safe for use in cosmetics, with qualifications
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- PD0480000
- hs_code
- 29309070
- risk_code
- 36/37/38
- hazard_code
化学と産業
薬理情報
Tissue LocationsPlacenta
用途と製造
UsesCIR ingredient: Acetyl Methionine
Use ClassificationCosmetics -> Skin conditioning
General Manufacturing InformationL-Methionine, N-acetyl-: ACTIVE
調製方法
純化方法Crystallise N-acetyl-L-methionine from Me2CO, H2O or EtOAc. Dry it in a vacuum over P2O5. Its solubility at 25o in H2O is 30.7%, and in Me2CO it is 29.5%. [Mitzi & Schueter Biochim Biophys Acta 27 168 1958, Birnbaum et al. J Biol Chem 194 455 1952, Beilstein 4 IV 3206.]
上流・下流製品情報
上流原料
関連反応
15 件
化合物ノート
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