基本情報
- 標準SMILES
C[C@@H](O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O- InChIKey
NSMXQKNUPPXBRG-SECBINFHSA-N- 分子式
- C13H20N4O3
- 平均分子量
- 280.32 g/mol
- 単同位体質量
- 280.1535405
概要
(R)-lisofylline is a 1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione that has (R)-configuration. A synthetic small molecule which was under development for the treatment of type 1 diabetes mellitus. It has a role as an immunomodulator and an anti-inflammatory agent. It is an enantiomer of a (S)-lisofylline.
名称と識別子
- 優先名称
- Lisofylline
- IUPAC
- 1-[(5R)-5-hydroxyhexyl]-3,7-dimethylpurine-2,6-dione
名称と別名
(R)-LisofyllineLISOFYLLINE100324-81-0ProTecLisophyllineCT-1501RlisofilinaCT 1501R1-[(5R)-5-hydroxyhexyl]-3,7-dimethylpurine-2,6-dioneLisofylline, (r)-lisofyllinumCT1501R
名称をさらに表示
(R)-Lisophylline1-[(R)-5-hydroxyhexyl]theobromineDTXSID7058709CHEBI:143527L1F2Q2X9561-((R)-5-Hydroxyhexyl)theobromine1-(5R-Hydroxyhexyl)-3,7-dimethylxanthine1-[(5R)-5-hydroxyhexyl]-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
データベース識別子
- CAS
100324-81-0- PubChem CID
- 501254
- DTXSID
DTXSID7058709- ChEMBL
CHEMBL1411- ChEBI
CHEBI:143527- UNII
- L1F2Q2X956
- Nikkaji
- J731.039K
物性
構造計算による物性
- XLogP
- 0.7
- 極性表面積
- 78.7 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 5
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 390
実験および物理化学的性質
Drugs
Pharmaceuticals -> Metabolite of Pentoxifylline
Pharmaceuticals -> Listed in ZINC15
化学と産業
薬理情報
Metabolism/MetabolitesLisofylline has known human metabolites that include lisofylline 4,5-diol and pentoxifylline.
MeSH Pharmacological Classification
Substances that augment, stimulate, activate, potentiate, or modulate the immune response at either the cellular or humoral level. The classical agents (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contain bacterial antigens. Some are endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Their mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy of many biological response modifiers is related to their antigen-specific immunoadjuvanticity.
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
Agents that suppress immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-CELLS or by inhibiting the activation of HELPER CELLS. While immunosuppression has been brought about in the past primarily to prevent rejection of transplanted organs, new applications involving mediation of the effects of INTERLEUKINS and other CYTOKINES are emerging.
Drugs used to potentiate the effectiveness of radiation therapy in destroying unwanted cells.
関連反応
2 件
関連ノート
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