Cyclosporin A-Derivative 1 Free base
基本情報
- CAS
286852-20-8- 標準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- 分子式
- C65H117N11O14
- 平均分子量
- 1,276.69 g/mol
名称と識別子
- 優先名称
- Cyclosporin A-Derivative 1 Free base
- 英語名
- Cyclosporin A-Derivative 1 Free base
- 分子式
- C65H117N11O14
- 分子量
- 1276.69
名称と別名
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
データベース識別子
- CAS
286852-20-8
物性
物理化学的性質
- 沸点
- 1225.9 · 1225.9±65.0 °C(Predicted)
- 比重(密度)
- 1.093 · 1.093±0.06 g/cm3(Predicted)
- 溶解性
- DCM、メタノール
- 外見
- 個体
- 酸解離定数(Pka)
- 13.07 · 13.07±0.46(Predicted)
- 色
- オフホワイト
化学と産業
応用分野
使用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-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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