基本情報
- CAS
290828-45-4- 標準SMILES
CN[C@H](CC(C)C)C(=O)N[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(N)=O)C(C)C- InChIKey
TUSUWHFYKZZRIG-JQWMYKLHSA-N- 分子式
- C36H54N6O5
- 平均分子量
- 650.9 g/mol
- 単同位体質量
- 650.41556884
概要
Apan (PPI-1019) is developed by Praecis Pharmaceuticals to treat Alzheimer's Disease.
名称と識別子
- 優先名称
- Ppi-1019
- IUPAC
- (2R)-4-methyl-2-[[(2R)-2-[[(2R)-2-[[(2R)-3-methyl-2-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]pentanamide
- 英語名
- N-Methyl-D-leucyl-D-valyl-D-phenylalanyl-D-phenylalanyl-D-LeucinaMide
- 分子式
- C36H54N6O5
- 分子量
- 650.85116
名称と別名
PPI-1019290828-45-4PPI 1019UNII-2F25P9Y22O2F25P9Y22O(2R)-4-METHYL-2-(((2R)-2-(((2R)-2-(((2R)-3-METHYL-2-(((2R)-4-METHYL-2-(METHYLAMINO)PENTANOYL)AMINO)BUTANOYL)AMINO)-3-PHENYL-PROPANOYL)AMINO)-3-PHENYL-PROPANOYL)AMINO)PENTANAMIDE(2R)-N-((1R)-1-(((1R)-1-(((1R)-1-(((1R)-1-carbamoyl-3-methylbutyl)carbamoyl)-2-phenylethyl)carbamoyl)-2-phenylethyl)carbamoyl)-2-methylpropyl)-4-methyl-2-(methylamino)pentanamide(2R)-N-[(1R)-1-{[(1R)-1-{[(1R)-1-{[(1R)-1-carbamoyl-3-methylbutyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-methylpropyl]-4-methyl-2-(methylamino)pentanamideRefChem:175671APAND-Leucinamide, N-methyl-D-leucyl-D-valyl-D-phenylalanyl-D-phenylalanyl-(2R)-4-Methyl-2-[[(2R)-2-[[(2R)-2-[[(2R)-3-methyl-2-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]pentanamide
名称をさらに表示
PPI1019N-Methyl-D-leucyl-D-valyl-D-phenylalanyl-D-phenylalanyl-D-LeucinaMide
orb1699605SCHEMBL29373052AKOS040749229DB05832(R)-N-((R)-1-(((R)-1-(((R)-1-(((R)-1-amino-4-methyl-1-oxopentan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)-4-methyl-2-(methylamino)pentanamideTS-08612HY-123485CS-0082789
データベース識別子
- CAS
290828-45-4- PubChem CID
- 9830969
- UNII
- 2F25P9Y22O
物性
構造計算による物性
- XLogP
- 3.2
- 極性表面積
- 172 Ų
- 水素結合供与体数
- 6
- 水素結合受容体数
- 6
- 回転可能結合数
- 19
- 重原子数
- 47
- 形式電荷
- 0
- 複雑度
- 1,010
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
化学と産業
薬理情報
Mechanism of Action
PPI-1019 (Apan) inhibits the aggregation of beta-amyloid and its associated nerve cell toxicity. In addition, Apan reaches the brain in quantities that are sufficient to block the aggregation of beta-amyloid molecules and alter the course of the disease. Accumulation of beta-amyloid in the brain is often thought of as a defect in the ability to clear beta-amyloid from the brain through the cerebral spinal fluid (CSF). Both humans and transgenic mice with Alzheimer's disease plaques show increased levels of beta-amyloid in the brain and decreased levels in the CSF. Transgenic mice treated with Apan show significant increases in beta-amyloid levels in the CSF, indicating that Apan is able to mobilize beta-amyloid in the brain and may be facilitating its clearance.
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