기본 정보
- CAS
1135616-49-7- 표준 SMILES
CN=C(NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2- InChIKey
JAUPJPAADXVUGQ-LJAQVGFWSA-N- 분자식
- C35H42N4O7S
- 평균 분자량
- 662.8 g/mol
- 단동위원소 질량
- 662.27742087
이름 및 식별자
- 우선 이름
- Fmoc-Arg(Me,pbf)-OH
- IUPAC
- (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[N'-methyl-N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]pentanoic acid
- 영어명
- Fmoc-Arg(Me,Pbf)-OH
- 분자식
- C35H42N4O7S
- 분자량
- 662.8
이름 및 동의어
Fmoc-Arg(Me,pbf)-OH1135616-49-7MFCD08064312(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[N'-methyl-N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]pentanoic acidFmoc-Arg(Me)(Pbf)-OHL-Ornithine, N5-[[[(2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino](methylimino)methyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-DTXSID10855649CS-0005659Fmoc-Arg(Me, Pbf)-OH(S,E)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-5-(((methylamino)(2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-sulfonamido)methylene)amino)pentanoic acidSCHEMBL29400504AKOS016002157
이름 더 보기
(E)-N2-(((9H-fluoren-9-yl)methoxy)carbonyl)-Nw'-methyl-Nw-((2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yl)sulfonyl)-L-arginineFmoc-Arg(Me,Pbf)FMoc-Arg(Pbf,Me)-OHFMOC-ARG(ME,PBF)-OH 1 GFmoc-Arg(Me,Pbf)-OH, >97%(9H-Fluoren-9-yl)MethOxy]Carbonyl Arg(Me,Pbf)-OHNα-Fmoc-Nω-methyl-Nω'-(2,2,4,6,7-pentamethyldihydrobenzofuran-5-sulfonyl)-L-arginineNα-Fmoc-Nω-methyl-Nω'-(2,2,4,6,7-pentamethyldihydrobenzofuran-5-sulfonyl)-L-arginine≥ 98% (HPLC)N-ALPHA-FMOC-N-OMEGA-METHYL-N-OMEGA'-(2,2,4,6,7-PENTAMETHYLDIHYDROBENZOFURAN-5-SULFONYL)-L-ARGININE
AKOS030212555AKOS032961316AKOS037644148AS-47147SY059536F12308F996592N~2~-{[(9H-Fluoren-9-yl)methoxy]carbonyl}-N~5~-[N'-methyl-N-(2,2
데이터베이스 식별자
- CAS
1135616-49-7- PubChem CID
- 71463661
- DTXSID
DTXSID10855649
물성
구조 계산 물성
- XLogP
- 5.6
- 극성 표면적
- 164 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 1,230
물리화학적 성질
- 밀도
- 1.33 · 1.33
- 저장 조건
- -15 °C · Store at -15°C to -25°C.
- 산도 계수 (pKa)
- 3.8 · 3.80±0.21(Predicted)
- 물리적 상태
- powder
- 주요 응용
- 펩타이드 합성
- InChIKey
- JAUPJPAADXVUGQ-LJAQVGFWSA-N
- SMILES
- C(O)(=O)[C@H](CCCNC(NS(C1=C(C)C(C)=C2OC(C)(C)CC2=C1C)(=O)=O)=NC)NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O
화학적 성질
White powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요FMOC-Arg (ME, PBF)-OH is a kind of protected form of arginine. Arginine is double-protected by butyloxycarbonyl (BOC) and 2, 2, 4, 6, 7-pentamethyldihydrobenzofuran-5-sulfonyl (PBF). It is a derivative for introducing mono-methyl-arginine during Fmoc SPPS. Coupling can be carried out using any standard activation method. PBF protecting group can be removed by TFA-mediated cleavage reaction. As a kind of protected amino acid, it is an important intermediate in various fields such as peptide synthesis, asymmetric synthesis, medicinal chemistry as well as polymer chemistry.
용도Fmoc-Arg(Me,pbf)-OH can be used as reactant/reagent in design, synthesis and structure-activity relationship of macrocyclic peptidomimetics that bind to WDR5 and block WDR5-MLL protein-protein interaction.
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