기본 정보
- CAS
286852-20-8- 표준 SMILES
C/C=C/C[C@@H](C)[C@@H](OC(C)=O)C(NC)C(=O)[C@@H](C(=O)OC)N(C)C(=O)C(CC)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC)C(C)C- InChIKey
PHPMRQAOTRRQKR-ZFTOIKDJSA-N- 분자식
- C65H117N11O14
- 평균 분자량
- 1,276.69 g/mol
이름 및 식별자
- 우선 이름
- Cyclosporin A-Derivative 1 Free base
- 영어명
- Cyclosporin A-Derivative 1 Free base
- 분자식
- C65H117N11O14
- 분자량
- 1276.69
이름 및 동의어
Cyclosporin A-Derivative 1 Free baseN-Methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(2S,3R,4R,6E)-3-(acetyloxy)-4-methyl-2-(methylamino)-6-octenoyl-(2S)-2-aminobutanoyl-Glycine, N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(2S,3R,4R,6E)-3-(acetyloxy)-4-methyl-2-(methylamino)-6-octenoyl-(2S)-2-aminobutanoyl-N-methyl-, methyl ester
데이터베이스 식별자
- CAS
286852-20-8
물성
물리화학적 성질
- 끓는 점
- 1225.9 · 1225.9±65.0 °C(Predicted)
- 밀도
- 1.093 · 1.093±0.06 g/cm3(Predicted)
- 용해도
- 에 용해됨DCM, 메탄올
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 13.07 · 13.07±0.46(Predicted)
- 색상
- 회백색
화학 및 산업
응용 분야
용도N-Methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(2S,3R,4R,6E)-3-(acetyloxy)-4-methyl-2-(methylamino)-6-octenoyl-(2S)-2-aminobutanoyl-N-methyl-glycine Methyl Ester is an intermediate in the synthesis of Cyclosporin AM 4N (C989410), a metabolite of Cyclosporin A (C988900). Cyclosporin A is a hydrophobic cyclic undecapeptide that is used as a potent immunosuppressive agent that has application in human organ transplantation. Cyclosporin A works by inhibiting subsets of T lymphocytes to facilitate organ transplantation.
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