パルミドロール
Palmitoylethanolamide
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基本情報
- CAS
544-31-0- 標準SMILES
CCCCCCCCCCCCCCCC(=O)NCCO- InChIKey
HXYVTAGFYLMHSO-UHFFFAOYSA-N- 分子式
- C18H37NO2
- 平均分子量
- 299.5 g/mol
- 単同位体質量
- 299.28242942
概要
Palmitoyl ethanolamide is an N-(long-chain-acyl)ethanolamine that is the ethanolamide of palmitic (hexadecanoic) acid. It has a role as an anti-inflammatory drug, an anticonvulsant, an antihypertensive agent and a neuroprotective agent. It is a N-(long-chain-acyl)ethanolamine, an endocannabinoid and a N-(saturated fatty acyl)ethanolamine. It is functionally related to a hexadecanoic acid.
名称と識別子
- 優先名称
- Palmitoylethanolamide
- IUPAC
- N-(2-hydroxyethyl)hexadecanamide
- 現地名
- パルミドロール
- 英語名
- Palmitoylethanolamide
- 分子式
- C18H37NO2
- 分子量
- 299.49
名称と別名
PalmitoylethanolamidePalmidrol544-31-0N-(2-Hydroxyethyl)hexadecanamidePalmitoyl ethanolamidePalmitic acid monoethanolamideHydroxyethylpalmitamideLoramine P 256palmitylethanolamidePalmidrolumLevagenPalmdrol prodes
名称をさらに表示
N-(2-ヒドロキシエチル)パルミチン酸アミドインプルシンN-(2-ヒドロキシエチル)ヘキサデカンアミド2-(パルミトイルアミノ)エタノールパルミトイルエタノールアミドパルミチルエタノールアミドパルミチン酸モノエタノールアミドN-パルミトイルエタノールアミドN-パルミトイルエタノールアミンローラミンP-256N-(2-ヒドロキシエチル)パルミトアミドパルミドロール2-パルミトイルアミノエタノールパルミチン酸モノエタノ-ルアミドパルミタミドＭＥＡN-palmitoylethanolaminePALMITAMIDE MEAN-(2-Hydroxyethyl)palmitamidePEA MicroPEA PALMIDROL2-(palmitoylamino)ethanol
Monoethanolamine palmitic acid amidepalmitic monoethanolamidePalmitinsaeure-beta-hydroxyethylamidAnandamide (16:0)hexadecanoyl ethanolamideN(2-hydroxyethyl)palmitide6R8T1UDM3VN(2-hydroxyethyl) palmitide
データベース識別子
- CAS
544-31-0- PubChem CID
- 4671
- DTXSID
DTXSID4042254- ChEMBL
CHEMBL417675- ChEBI
CHEBI:71464- UNII
- 6R8T1UDM3V
- EC Number
- 208-867-9
- Nikkaji
- J6.414I
物性
構造計算による物性補完中
- XLogP
- 6.2
- 極性表面積
- 49.3 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 2
- 回転可能結合数
- 16
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 219
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
Lipids
Lipids -> Unambiguous Lipids
Fatty Acyls [FA] -> Fatty amides [FA08] -> N-acyl ethanolamines (endocannabinoids) [FA0804]
Cosmetics
Cosmetic ingredients (Palmitamide MEA) -> CIR (Cosmetic Ingredient Review)
Foam boosting; Viscosity controlling; Antistatic
Personal care product
Melting Point98.5 °C
Physical Description
Other Solid
Solid
Collision Cross Section
189.0 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Sample Type: Human plasma; Dataset: Unambiguous Lipids]
189.87 Ų [M+H]+ [CCS Type: TIMS; Method: single field calibrated]
物理化学的性質
- 融点
- 97 · 97-98℃
- 沸点
- 461.5 · 461.5±28.0 °C(Predicted)
- 比重(密度)
- 0.91 · 0.910±0.06 g/cm3(Predicted)
- 蒸気圧
- 0.45 Pa · 0.45Pa at 20℃
- 貯蔵温度
- -20 °C · -20°C
- 溶解性
- DMSO (最大 25mg/ml) またはエタノール (最大 25mg/ml) に可溶。
- 外見
- 白い固体
- 酸解離定数(Pka)
- 14.49 · 14.49±0.10(Predicted)
- 色
- 白い
- 水溶解度
- 4.01 mg/L · 4.01mg/L at 20℃
- 安定性
- -20 °Cで最大3か月保存できます。 · DMSO溶液またはエタノール溶液で-20°Cで最大3か月保存できます。
- 化粧品成分の機能
- 界面活性剤 - 泡立ち促進剤帯電防止粘度制御
- InChI
- 1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h20H,2-17H2,1H3,(H,19,21)
- InChIKey
- HXYVTAGFYLMHSO-UHFFFAOYSA-N
- SMILES
- N(CCO)C(=O)CCCCCCCCCCCCCCC
- LogP
- 3.989 at · 3.989 at 20℃
- CAS データベース
- 544 · 544-31-0
- EPAの化学物質情報
- Palmitoylethanolamide (544-31-0)
化学的性質
化学的特性Palmitoylethanolamide is a natural occurring lipid belonging to the class of autacoids. It is a fine white to yellow powder. PEA consists of palmitic acid and ethanolamine. It is the hydrolyzed form of N-(2-hydroxyethyl)-palmitamide, a crystalline structure isolated in soy lecithin. It is this hydrolyzed substance that accounts for the anti-inflammatory properties that were first noted by scientists in 1957. PEA's effects on the immune system have been studied since 1939.
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 2.5% (4 of 162) of reports.
Danger
H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P273, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 162 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
Hexadecanamide, N-(2-hydroxyethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexadecanamide, N-(2-hydroxyethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 12-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/23420
Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)
毒性情報
Toxicity Summary
The CIR Expert Panel concluded that the ethanolamides listed subsequently are safe in the present practices of use and concentration described in this safety assessment when formulated to be non-irritating. The Expert Panel cautioned that these ingredients should not be used in cosmetic products in which N-nitroso compounds may be formed...Palmitamide MEA...
Safe for use in cosmetics, with qualifications
安全データ
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN3077
- hs_code
- 2934.99.4400
- 化審法
- (2)-827
- hazard_class
- 9
- Hazard Classifications
- Aquatic Chronic 2Eye Dam. 1Skin Irrit. 2
- ストレージクラス
- 13 - Non Combustible Solids
化学と産業
薬理情報
MeSH Pharmacological Classification
Compounds capable of relieving pain without the loss of CONSCIOUSNESS.
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
Compounds that interact with and stimulate the activity of CANNABINOID RECEPTORS.
Tissue LocationsPlacenta
Cellular LocationsExtracellular
用途と製造
UsesCIR ingredient: Palmitamide MEA
U.S. Production2023: 75,000 - <500,000 lb
Consumer UsesSurfactant (surface active agent)
Industry UsesSurfactant (surface active agent)
Use ClassificationCosmetics -> Foam boosting; Viscosity controlling; Antistatic
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Hexadecanamide, N-(2-hydroxyethyl)-: ACTIVE
応用分野
説明Palmitoylethanolamide (PEA) is a fatty acid amide produced in the body that binds to and activates the peroxisome proliferator-activated receptor alpha (PPAR-α). It was initially described as an agonist to the type 2 cannabinoid receptor (CB2), though it is now recognized that PEA does not bind to cannabinoid receptors. PEA is known to have anti-inflammatory, analgesic, and neuroprotective properties. PEA supplements have been used by people with chronic pain as well as those with neuropathic pain.
使用Palmitoylethanolamide is a natural substance produced by the body and it is very effective and safe to use as a supplement for pain and reduce inflammation.PEA can be synthesized within the human body from the abundant fatty acid palmitic acid, but it is not dependent or influenced by dietary consumption of fatty acids. Palmitic acid in the diet is derived from dairy products such as cheese and butter, palm tree oil, and animal meat products. However, increasing palmitic acid in the hope of increasing endogenous PEA synthesis will not be effective.The anti-inflammatory properties of PEA are due to its ability to inhibit inflammation-causing proteins called cytokines. Cytokines are released during periods of inflammation. PEA can suppress the secretion of tumor necrosis factor alpha (TNF alpha), a cytokine, while also inhibiting the release of interleukins. Interleukins are a specific class of cytokines which belong in the immunological system and are activated during the process of inflammation.Chronic Pain and the Use of Palmitoylethanolamide: An Update
上流・下流製品情報
上流原料
下流製品
補足説明
定義本品は、パルミチン酸(*)のモノエタノールアミドであり、次の化学式で表される。参照表示名称：パルミチン酸
定義ChEBI: Palmitoylethanolamide is an N-(long-chain-acyl)ethanolamine that is the ethanolamide of palmitic (hexadecanoic) acid. It has a role as an anti-inflammatory drug, an antihypertensive agent, a neuroprotective agent and an anticonvulsant. It is a N-(long-chain-acyl)ethanolamine, an endocannabinoid and a N-(saturated fatty acyl)ethanolamine. It is functionally related to a hexadecanoic acid.
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