기본 정보
- CAS
164669-07-2- 표준 SMILES
CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(=O)O- InChIKey
ZSZMVAFYNVHXHA-BJSZDZKQSA-N- 분자식
- C53H99N15O12
- 평균 분자량
- 1,138.4 g/mol
이름 및 식별자
- 우선 이름
- Cdk5 substrate
- IUPAC
- (2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoic acid
- 영어명
- PKTPKKAKKL
- 분자식
- C53H99N15O12
- 분자량
- 1138.45
이름 및 동의어
Cdk5 substratePKTPKKAKKL164669-07-2(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoic acidorb1693069SCHEMBL29987342Cyclin-dependent kinase 5 SubstrateHY-P2668C53H99N15O12MFCD08459410AKOS040755680DA-51722
이름 더 보기
ZSZMVAFYNVHXHA-BJSZDZKQSA-NCDK5 SUBSTRATE [PKTPKKAKKL]PRO-LYS-THR-PRO-LYS-LYS-ALA-LYS-LYS-LEUH-PRO-LYS-THR-PRO-LYS-LYS-ALA-LYS-LYS-LEU-OHL-Leucine, L-prolyl-L-lysyl-L-threonyl-L-prolyl-L-lysyl-L-lysyl-L-alanyl-L-lysyl-L-lysyl-
CS-0138151T37207(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-3-hydroxy-butanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methyl-pentanoic acid
물성
구조 계산 물성
- XLogP
- -4.8
- 극성 표면적
- 453 Ų
- 수소 결합 공여자 수
- 16
- 수소 결합 수용자 수
- 18
- 회전 가능 결합 수
- 41
- 무거운 원자 수
- 80
- 형식 전하
- 0
- 복잡도
- 1,970
물리화학적 성질
- 끓는 점
- 1466.5 · 1466.5±65.0 °C(Predicted)
- 밀도
- 1.209 · 1.209±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 10 mg/ml; · DMF: 10 mg/ml; DMSO: 20 mg/ml; Ethanol: 1 mg/ml; PBS (pH 7.2): 10 mg/ml
- 물리적 상태
- 결정성 고체
- 산도 계수 (pKa)
- 3.37 · 3.37±0.10(Predicted)
- 색상
- White to off-white
화학 및 산업
응용 분야
개요Cyclin-dependent kinase 5 (Cdk5) is a serine/threonine kinase that is predominantly active in neuronal tissues. With p25 or p35, Cdk5 phosphorylates a range of proteins, including histone H1 and tau. Cdk5 substrate is a synthetic peptide (PKTPKKAKKL) corresponding to a sequence of histone H1. It is phosphorylated by Cdk5 with a Km value of 5 μM.
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