기본 정보
- CAS
574741-81-4- 표준 SMILES
CCCCCCCCCCCCCCCC(=O)OCC(CSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)OC(=O)CCCCCCCCCCCCCCC- InChIKey
LJUIOEFZFQRWJG-KKIBDXJDSA-N- 분자식
- C65H126N10O12S
- 평균 분자량
- 1,271.8 g/mol
- 단동위원소 질량
- 1,270.92774067
개요
S-[2,3-bis(palmitoyloxy)propyl]-Cys-Ser-Lys-Lys-Lys-Lys is a triacyl lipopeptide that is the pentapeptide Cys-Ser-Lys-Lys-Lys-Lys in which the side-chain thiol hydrogen on the Cys residue has been replaced by a 2,3-bis(palmitoyloxy)propyl group. It is an organic sulfide and a diacyl lipopeptide.
이름 및 식별자
- 우선 이름
- Pam2csk4
- IUPAC
- (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-amino-3-[2,3-di(hexadecanoyloxy)propylsulfanyl]propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid
이름 및 동의어
Pam2CSK4CBLB 601L33ZW7BO91574741-81-4S-(2,3-Bis((1-oxohexadecyl)oxy)propyl)-L-cysteinyl-L-seryl-L-lysyl-L-lysyl-L-lysyl-L-lysineL-Lysine, S-(2,3-bis((1-oxohexadecyl)oxy)propyl)-L-cysteinyl-L-seryl-L-lysyl-L-lysyl-L-lysyl-PAM2CSK4 acetatePAM2(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-amino-3-[2,3-di(hexadecanoyloxy)propylsulfanyl]propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acidPAM2 CSK4PAM2-CSK4PAM(2) CSK(4)
이름 더 보기
(2S)-6-amino-2-(((2S)-6-amino-2-(((2S)-6-amino-2-(((2S)-6-amino-2-(((2S)-2-(((2R)-2-amino-3-(2,3-di(hexadecanoyloxy)propylsulfanyl)propanoyl)amino)-3-hydroxypropanoyl)amino)hexanoyl)amino)hexanoyl)amino)hexanoyl)amino)hexanoic acidRefChem:928542UNII-L33ZW7BO91S-[2,3-bis(palmitoyloxy)-(2RS)-propyl]-[R]-cysteinyl-[S]-seryl-[S]-lysyl-[S]-lysyl-[S]-lysyl-[S]-lysineS-[2,3-bis(palmitoyloxy)propyl]-Cys-Ser-Lys-Lys-Lys-LysS-[2,3-bis(hexadecanoyloxy)propyl]-L-cysteinyl-L-seryl-L-lysyl-L-lysyl-L-lysyl-L-lysineS-[2,3-bis(palmitoyloxy)propyl]-L-cysteinyl-L-seryl-L-lysyl-L-lysyl-L-lysyl-L-lysinePAM2CSK4 [WHO-DD]
물성
구조 계산 물성
- XLogP
- 8.5
- 극성 표면적
- 411 Ų
- 수소 결합 공여자 수
- 12
- 수소 결합 수용자 수
- 18
- 회전 가능 결합 수
- 65
- 무거운 원자 수
- 88
- 형식 전하
- 0
- 복잡도
- 1,810
화학 및 산업
약리 정보
Mechanism of ActionPam2 is a synthetic lipopeptide which acts as an agonist at TLR2 and TLR6. Actions at these receptors suggest that Pam2 has potential antiviral properties.
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