Calmangafodipir
基本情報
- CAS
1401243-67-1- 標準SMILES
Cc1ncc(COP(=O)([O-])O)c(CN(CCN(CC(=O)O)Cc2c(COP(=O)([O-])O)cnc(C)c2O)CC(=O)O)c1O.Cc1ncc(COP(=O)([O-])O)c(CN(CCN(CC(=O)O)Cc2c(COP(=O)([O-])O)cnc(C)c2O)CC(=O)O)c1O.Cc1ncc(COP(=O)([O-])O)c(CN(CCN(CC(=O)O)Cc2c(COP(=O)([O-])O)cnc(C)c2O)CC(=O)O)c1O.Cc1ncc(COP(=O)([O-])O)c(CN(CCN(CC(=O)O)Cc2c(COP(=O)([O-])O)cnc(C)c2O)CC(=O)O)c1O.Cc1ncc(COP(=O)([O-])O)c(CN(CCN(CC(=O)O)Cc2c(COP(=O)([O-])O)cnc(C)c2O)CC(=O)O)c1O.[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Mn+2]- InChIKey
QAOJLUYEMFXJGX-UHFFFAOYSA-D- 分子式
- C110H150Ca4MnN20O70P10
- 平均分子量
- 3,397.4 g/mol
- 単同位体質量
- 3,395.405285
概要
PLED-based MnSOD Mimetic is a derivative of pyridoxyl ethyldiamine (PLED) and mimetic of the human mitochondrial manganese superoxide dismutase (MnSOD), with antioxidant, metal chelating and potential chemoprotective activities. Upon administration, PLED-based MnSOD mimetic mimics MnSOD and scavenges oxygen free radicals such as superoxide anion, hydrogen peroxide, and hydroxyl radical, thereby preventing oxygen free radical damage to macromolecules such as DNA and minimizing oxygen free radical-related chemotoxicity in normal tissues. In addition, this agent is able to strongly bind to iron.
名称と識別子
- 優先名称
- Calmangafodipir
- IUPAC
- tetracalcium;pentakis([4-[[carboxymethyl-[2-[carboxymethyl-[[3-hydroxy-5-[[hydroxy(oxido)phosphoryl]oxymethyl]-2-methyl-4-pyridinyl]methyl]amino]ethyl]amino]methyl]-5-hydroxy-6-methyl-3-pyridinyl]methyl hydrogen phosphate);manganese(2+)
名称と別名
calmangafodipirPledoxN0JZU0WGU5Calmangafodipir (Ca4Mn(dpdp)5)PP100-01Ca4Mn(DPDP)5Tetracalcium monomanganese penta(dipyridoxyl diphosphate)1401243-67-1RefChem:123006PLED-based MnSOD MimeticPP-095CALMANGAFODIPIR [WHO-DD]
データベース識別子
- CAS
1401243-67-1- PubChem CID
- 146019463
- ChEMBL
CHEMBL4297714- UNII
- N0JZU0WGU5
物性
構造計算による物性
- 極性表面積
- 1,430 Ų
- 水素結合供与体数
- 30
- 水素結合受容体数
- 90
- 回転可能結合数
- 85
- 重原子数
- 215
- 形式電荷
- 0
- 複雑度
- 902
化学と産業
薬理情報
MeSH Pharmacological ClassificationSubstances used to allow enhanced visualization of tissues.
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