기본 정보
- 표준 SMILES
C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O- InChIKey
HJCMDXDYPOUFDY-WHFBIAKZSA-N- 분자식
- C8H15N3O4
- 평균 분자량
- 217.22 g/mol
- 단동위원소 질량
- 217.10625596
개요
Ala-Gln is a dipeptide formed from L-alanyl and L-glutamine residues. It has a role as a metabolite. It is a tautomer of an Ala-Gln zwitterion.
이름 및 식별자
- 우선 이름
- L-Alanyl-L-Glutamine
- IUPAC
- (2S)-5-amino-2-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid
- 현지명
- 알라닐글루타민
- 영어명
- L-Alanyl-L-Glutamine
- 분자식
- C8H15N3O4
- 분자량
- 217.22
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
39537-23-0- PubChem CID
- 123935
- DTXSID
DTXSID20192658- ChEMBL
CHEMBL3707366- ChEBI
CHEBI:73788- UNII
- U5JDO2770Z
- EC Number
- 609-717-9
- Nikkaji
- J475.207D
물성
구조 계산 물성
- XLogP
- -4.4
- 극성 표면적
- 136 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 267
실험 및 물리화학적 성질
Solubility
Soluble in water
Very slightly soluble (in ethanol)
Physical Description
Solid; [Sigma-Aldrich MSDS]
Solid
White crystals or crystalline powder; Weak savoury aroma
물리화학적 성질
- 녹는점
- 215 °C · 215 °C
- 끓는 점
- 615 ℃ · 615℃
- 밀도
- 1.305 · 1.305±0.06 g/cm3(Predicted)
- 증기압
- 0 · 0-1000Pa at 20-313.7℃
- FEMA
- 4712 · 4712 | L-ALANYL-L-GLUTAMINE
- 굴절률
- 10 ° · 10 ° (C=5, H2O)
- 인화점
- 110 ° · >110°(230°F)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 물 (난용성)
- 산도 계수 (pKa)
- 3.12 · 3.12±0.10(Predicted)
- 물리적 상태
- 액체
- 색상
- 하얀색
- 수소이온지수(pH)
- pH(50g/l, 25℃) : 5.0~6.0
- 냄새
- 순한맛
- 수용성
- 물에 용해됩니다.
- JECFA Number
- 2121 · 2121
- 안정성
- 흡습성
- 화장품 원료 기능
- 보습제피부 컨디셔닝
- InChI
- 1S/C8H15N3O4/c1-4(9)7(13)11-5(8(14)15)2-3-6(10)12/h4-5H,2-3,9H2,1H3,(H2,10,12)(H,11,13)(H,14,15)/t4-,5-/m0/s1
- InChIKey
- HJCMDXDYPOUFDY-AKGZTFGVSA-N
- SMILES
- NC(CC[C@H](NC([C@@H](N)C)=O)C(O)=O)=O
- LogP
- -4.6 at · -4.6 at 22℃ and pH6.3
- 표면장력
- 70 mN/m · 70mN/m at 1g/L and 20℃
화학적 성질
White Solid
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.
Not Classified
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
안전 데이터
- wgk
- 1
- HS 번호
- 29241990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 23-24/25-36-26
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
ATC Code
B - Blood and blood forming organs
QB - Blood and blood forming organs
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
응용 분야
개요L-Alanyl-L-glutamine is a synthetic glutamine dipeptide that can attenuate oxidative stress in rodent models when administered at doses of 0.75-1.5 mg/kg. In vivo, the parenteral administration of L-alanyl-L-glutamine to Swiss mice yields higher plasma glutamine levels compared to enteral administration. In vitro, the addition of this dipeptide (50 mM) to cultures of antibody-producing CHO cells reduces apoptosis and promotes antibody production. Treatment of insulin-secreting BRIN-BD11 β-cells with L-alanyl-L-glutamine (2 mM) protects against the inflammatory effects of exposure to lipopolysaccharide-treated primary macrophages.
용도A substitute for glutamine in mammalian cell culture media; stable to heat-sterilization.L-Alanyl-L-glutamine is used as a component in pharmaceuticals, cosmetics and food products. It is a stable Gln dipeptide, which protects mice against the jejunal crypt depletion in the setting of dietary protein and fat deficiency. It provides nutritional requirements, improves intestinal health and enhances the immune system. It is also involved in various clinical studies such as cancer treatment, radiation and chemotherapy. It finds application in biotechnology as a component for mammalian cell culture medium. It improves pancreatic beta-cell function, maintaining the mitochondrial metabolism and stimulus-secretion coupling essential for insulin release.
상·하류 제품 정보
상류 원료
공급사50 곳
추가 설명
정의ChEBI: A dipeptide formed from L-alanyl and L-glutamine residues.
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