팔미타마이드엠이에이
팔미타마이드엠이에이 · 팔미토일레타놀라미드 · Palmidrol · Palmitic acid monoethanolamide · N-palmitoylethanolamine · PALMITAMIDE MEA · N-(2-Hydroxyethyl)palmitamide · N-(2-HYDROXYETHYL)HEXADECANAMIDE

식별자 및 물리적 특성
| CAS No. | 544-31-0 |
|---|---|
| 분자식 | C18H37NO2 |
| 평균 분자량 | 299.5 g/mol |
| 단동위원소 질량 | 299.28242942 g/mol |
| SMILES | CCCCCCCCCCCCCCCC(=O)NCCO |
| InChIKey | HXYVTAGFYLMHSO-UHFFFAOYSA-N |
| PubChem CID | 4671 |
| ChEMBL | CHEMBL417675 |
| ChEBI | CHEBI:71464 |
| EC No. | 208-867-9 |
| DTXSID | DTXSID4042254 |
| 현지명 | 팔미타마이드엠이에이 |
화학 및 물리적 성질
| XLogP | 6.2 |
|---|---|
| 극성 표면적 | 49.3 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 16 |
| 무거운 원자 수 | 21 |
| 형식 전하 | 0 |
| 복잡도 | 219 |
| 의약품 | Pharmaceuticals -> Listed in ZINC15 |
| 지질 | Lipids -> Unambiguous LipidsFatty Acyls [FA] -> Fatty amides [FA08] -> N-acyl ethanolamines (endocannabinoids) [FA0804] |
| 화장품 | Cosmetic ingredients (Palmitamide MEA) -> CIR (Cosmetic Ingredient Review)Foam boostingViscosity controllingAntistaticPersonal care product |
| 녹는점 | 98.5 °C97-98℃ |
| Physical Description | Other Solid |
| Collision Cross Section | 189.0 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Sample Type: Human plasmaDataset: Unambiguous Lipids]189.87 Ų [M+H]+ [CCS Type: TIMSMethod: single field calibrated] |
| 끓는 점 | 461.5±28.0 °C(Predicted) |
| 밀도 | 0.910±0.06 g/cm3(Predicted) |
| 증기압 | 0.45Pa at 20℃ |
| 저장 조건 | -20°C |
| 용해도 | DMSO(최대 25mg/ml) 또는 에탄올(최대 25mg/ml)에 용해됩니다. |
| 물리적 상태 | 흰색 고체 |
| pKa(산도 계수) | 14.49±0.10(Predicted) |
| 색상 | 하얀색 |
| 용해도 | 4.01mg/L at 20℃ |
| 안정성 | 제공된 대로 구매일로부터 2년 동안 안정적입니다. DMSO 또는 에탄올 용액은 -20°에서 최대 3개월 동안 보관할 수 있습니다. |
| 화장품 원료 기능 | 계면활성제 - 거품 증진제대전방지제점도 조절 |
| 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(분배 계수) | 3.989 at 20℃ |
| EPA | Palmitoylethanolamide (544-31-0) |
화학적 성질
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.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 2.5% (4 of 162) of reports.DangerH315 (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. |
|---|---|
| 규제 정보 | 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 Categories | Skin Irrit. 2 (97.5%) |
| 독성 요약 | 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 |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN3077 |
| 관세 코드 | 2934.99.4400 |
| 위험 등급 | 9Aquatic Chronic 2Eye Dam. 1Skin Irrit. 2 |
| 저장 분류 | 13 - Non Combustible Solids |
용도
개요
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.
용도
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