N-Acetyl-L-leucine
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기본 정보
- CAS
1188-21-2- 표준 SMILES
CC(=O)N[C@@H](CC(C)C)C(=O)O- InChIKey
WXNXCEHXYPACJF-ZETCQYMHSA-N- 분자식
- C8H15NO3
- 평균 분자량
- 173.21 g/mol
- 단동위원소 질량
- 173.10519334
개요
N-acetyl-L-leucine is the N-acetyl derivative of L-leucine. It has a role as a metabolite. It is a N-acetyl-L-amino acid and a L-leucine derivative. It is a conjugate acid of a N-acetyl-L-leucinate. It is an enantiomer of a N-acetyl-D-leucine.
이름 및 식별자
- 우선 이름
- N-Acetyl-L-leucine
- IUPAC
- (2S)-2-acetamido-4-methylpentanoic acid
- 영어명
- N-Acetyl-L-leucine
- 분자식
- C8H15NO3
- 분자량
- 173.21
이름 및 동의어
N-Acetyl-L-leucine1188-21-2N-AcetylleucineL-Acetylleucine(S)-2-Acetamido-4-methylpentanoic acidN-acetyl-leucineLevacetylleucine(2S)-2-acetamido-4-methylpentanoic acidLeucine, N-acetyl-, L-N-ACETYL-L-(-)-LEUCINEn-acetyl leucineAQNEURSA
이름 더 보기
AC-LEU-OHACETYL-L-LEUCINEACETYL-DL-LEUCINEAC-DL-LEU-OHN-Ac-L-Leu-OHAc-L-Leu-OHn-acetyl-l-leucin(S)-N-Acetylleucine
E915HL7K2ONSC-206316ACETYLLEUCINE, (S)-CHEBI:17786RefChem:927004DTXCID00209990214-706-3DTXSID40859594
데이터베이스 식별자
- CAS
1188-21-2、99-15-0- PubChem CID
- 70912
- DTXSID
DTXSID6045870- ChEMBL
CHEMBL56021- ChEBI
CHEBI:17786- UNII
- E915HL7K2O
- EC Number
- 214-706-3
- Nikkaji
- J23.189D
물성
구조 계산 물성보충 중
- XLogP
- 0.5
- 극성 표면적
- 66.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 177
실험 및 물리화학적 성질
LogP0.79
Solubility8.1 mg/mL at 25 °C
Human Drugs
FDA approved drugs -> Active ingredient
EMA approved medicines: Human medicine (Orphan designations)
FDA approved drugs -> Active ingredient
Physical DescriptionSolid
Collision Cross Section
140.5 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
160.24 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
150.1 Ų [M+Na]+
물리화학적 성질
- 녹는점
- 187 · 187-190 °C(lit.)
- 끓는 점
- 303.86 °C · 303.86°C (rough estimate)
- 밀도
- 1.1599 · 1.1599 (rough estimate)
- 굴절률
- -22 ° · -22 ° (C=5, EtOH)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- DMSO(약간 용해됨), 에탄올(약간 용해됨), 물(약간 용해됨, 가열)
- 물리적 상태
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 5.4% (2 of 37) of reports.
Warning
H315 (91.9%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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 37 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (91.9%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29241900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25-36-26
- 위험 등급
- IRRITANT
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
ATC CodeN - Nervous system
PharmacodynamicsThe pharmacodynamics of levacetylleucine are not well characterized. There does not appear to be a relationship between increasing levacetylleucine exposure and clinical efficacy.
Mechanism of Action
Following oral administration, levacetylleucine is taken up via ubiquitously expressed monocarboxylate transporters and distributed to all body tissues. It enters enzyme-controlled pathways that correct metabolic dysfunction and improves adenosine triphosphate (ATP) energy production. The normalization of energy metabolism ameliorates mitochondrial and lysosomal dysfunction and leads to a reduction in the storage of unesterified cholesterol and sphingolipids. Levacetylleucine has also been shown to normalize neuronal membrane potentials in a guinea pig model, thereby improving cellular signaling processes and restoring and protecting neuronal circuits. The specific molecular target of levacetylleucine in the context of Niemann-Pick disease type C (NPC) is unknown.
Biological Half-LifeThe half-life of levacetylleucine is approximately 1 hour.
Metabolism/MetabolitesLevacetylleucine is metabolized into acetate and L-leucine by ubiquitously expressed enzymes.
FDA Pharmacological Classification
E915HL7K2O
LEVACETYLLEUCINE
Mechanisms of Action [MoA] - P-Glycoprotein Inhibitors
Mechanisms of Action [MoA] - Breast Cancer Resistance Protein Inhibitors
Mechanisms of Action [MoA] - Bile Salt Export Pump Inhibitors
Mechanisms of Action [MoA] - Organic Anion Transporter 1 Inhibitors
Absorption, Distribution and Excretion
The Cmaxand AUC0-24h of levacetylleucine following oral administration were 8.3 μg/mL and 33.2 h*μg/mL, respectively. The time to maximum concentration (Tmax) is approximately 1 hour.
The apparent volume of distribution following oral administration of levacetylleucine is 253 liters.
관련 반응
29건
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