데카노일-ARG-VAL-LYS-ARG-클로로메틸케톤
decanoyl-RVKR-chloromethylketone
기본 정보
- CAS
150113-99-8- 표준 SMILES
CCCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)CCl)C(C)C- InChIKey
NHBJTTGFHCHQHS-VZTVMPNDSA-N- 분자식
- C34H66ClN11O5
- 평균 분자량
- 744.4 g/mol
- 단동위원소 질량
- 743.4936919
개요
Decanoyl-L-Arg-L-Val-L-Lys-L-Arg-chloromethylketone is a tetrapeptide consisting of N-decanoyl-L-arginine, L-valine, L-lysine, and L-arginine joined in sequence by peptide linkages and in which the carboxy group at the C-terminus is substituted by a chloroacetyl group. It is a furin inhibitor that has antiviral activity against Chikungunya virus, Zika virus and Japanese encephalitis virus. It has a role as an EC 3.4.21.75 (furin) inhibitor, an antiviral agent and a peptidomimetic. It is an organochlorine compound and a tetrapeptide.
이름 및 식별자
- 우선 이름
- decanoyl-RVKR-chloromethylketone
- IUPAC
- N-[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(3S)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]decanamide
- 현지명
- 데카노일-ARG-VAL-LYS-ARG-클로로메틸케톤
- 영어명
- Decanoyl-Arg-Val-Lys-Arg-chloromethylketone
- 분자식
- C34H66ClN11O5
- 분자량
- 744.41
이름 및 동의어
Decanoyl-RVKR-CMKdecanoyl-RVKR-chloromethylketoneRefChem:1083034150113-99-8DECANOYL-ARG-VAL-LYS-ARG-CHLOROMETHYLKETONEFurin-IN-Idecanoyl-Arg-Val-Lys-Arg-CMKCHEMBL3126388N-[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(3S)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]decanamidedecanoyl-Arg-Val-Lys-Arg-chloromethyl ketoneDec-RVKR-CMKDecRVKRcmk
이름 더 보기
데카노일-ARG-VAL-LYS-ARG-클로로메틸케톤Furin Inhibitor I, Dec-RVKR-CMKDecanoyl-Arg-Val-Lys-Arg-CMK·TFADecanoyl-Arg-Val-Lys-Arg-chloromethylketonFurin Convertase Inhibitor ( Chloromethylketone)L-Lysinamide, N2-(1-oxodecyl)-L-arginyl-L-valyl-N-[(1S)-4-[(aminoiminomethyl)amino]-1-(2-chloroacetyl)butyl]-N-((6S,9S,12S,15S)-1,20-Diamino-9-(4-aminobutyl)-6-(2-chloroacetyl)-1,20-diimino-12-isopropyl-8,11,14-trioxo-2,7,10,13,19-pentaazaicosan-15-yl)decanamide
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 288 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 30
- 무거운 원자 수
- 51
- 형식 전하
- 0
- 복잡도
- 1,100
물리화학적 성질
- 밀도
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- 저장 조건
- -15 °C · -15°C
- 용해도
- 2 O · Soluble in H2O
- 물리적 상태
- 결정질 고체
- 산도 계수 (pKa)
- 13.32 · 13.32±0.46(Predicted)
- 색상
- off-white
- 수용성
- 1 mg/ml · Soluble to 1 mg/ml in water
화학 및 산업
응용 분야
용도N2-(1-Oxodecyl)-L-arginyl-L-valyl-N-[(1S)-4-[(aminoiminomethyl)amino]-1-(chloroacetyl)butyl]-L-lysinamide is a Furin inhibitor that may be used in the inhibition of the Chikungunya virus (CHIKV), a mosquito-transmitted Alphavirus that causes in humans an acute infection characterized by polyarthralgia, fever, myalgia, and headache
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