기본 정보
- CAS
290828-45-4- 표준 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- 분자식
- C36H54N6O5
- 평균 분자량
- 650.9 g/mol
- 단동위원소 질량
- 650.41556884
개요
Apan (PPI-1019) is developed by Praecis Pharmaceuticals to treat Alzheimer's Disease.
이름 및 식별자
- 우선 이름
- 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
- 현지명
- N-메틸-D-류실-D-발릴-D-페닐알라닐-D-페닐알라닐-D-류시나미드
- 영어명
- N-Methyl-D-leucyl-D-valyl-D-phenylalanyl-D-phenylalanyl-D-LeucinaMide
- 분자식
- C36H54N6O5
- 분자량
- 650.85116
이름 및 동의어
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
이름 더 보기
N-메틸-D-류실-D-발릴-D-페닐알라닐-D-페닐알라닐-D-류시나미드PPI1019N-Methyl-D-leucyl-D-valyl-D-phenylalanyl-D-phenylalanyl-D-LeucinaMide
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 172 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 19
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 1,010
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
화학 및 산업
약리 정보
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.
공급사6 곳
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
江西辐氨生物技术有限公司15002819872 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
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