基本情報
- CAS
201677-75-0- 標準SMILES
CN1C(=O)C[C@@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(N)=O)NC1=O.O.O.O.O- InChIKey
HRCJDWMUKPHPHR-NTFWNTCYSA-N- 分子式
- C17H31N7O9
- 平均分子量
- 477.5 g/mol
- 単同位体質量
- 477.21832559
概要
Taltirelin tetrahydrate is a hydrate that is the tetrahydrate form of taltirelin. It activates neuronal cells by promoting the release and turnover of neurotransmitters (acetylcholine, dopamine) and its nerve growth factor-like action. The drug is approved in Japan and used to treat ataxia (daily activities such as gait, eating, and conversation) in patients suffering from spinocerebellar degeneration. It has a role as a central nervous system drug. It contains a taltirelin.
名称と識別子
- 優先名称
- Taltirelin tetrahydrate
- IUPAC
- (4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide;tetrahydrate
名称と別名
Taltirelin hydrateTaltirelin tetrahydrateCeredist525OEO6W15DTXSID3021300CHEBI:157598RefChem:187330DTXCID701300201677-75-0UNII-525OEO6W15N-{[(4S)-1-methyl-2,6-dioxohexahydropyrimidin-4-yl]carbonyl}-L-histidyl-L-prolinamide tetrahydrate(4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide;tetrahydrate
名称をさらに表示
L-Prolinamide, N-(((4S)-hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, tetrahydrateCeredist (TN)Taltirelin hydrate (JP18)SCHEMBL3188420SCHEMBL30892167TALTIRELIN HYDRATE [JAN]CHEBI:32180TALTIRELIN TETRAHYDRATE [MI]
データベース識別子
- CAS
201677-75-0- PubChem CID
- 656609
- DTXSID
DTXSID3021300- ChEBI
CHEBI:157598- UNII
- 525OEO6W15
物性
構造計算による物性
- 極性表面積
- 175 Ų
- 水素結合供与体数
- 8
- 水素結合受容体数
- 10
- 回転可能結合数
- 6
- 重原子数
- 33
- 形式電荷
- 0
- 複雑度
- 714
化学と産業
薬理情報
MeSH Pharmacological ClassificationDrugs used to specifically facilitate learning or memory, particularly to prevent the cognitive deficits associated with dementias. These drugs act by a variety of mechanisms.
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化合物ノート
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