chloroplatinumylium pyridine diamine chloride

• ChemBase编号: 154433
• 分子式: C5H11Cl2N3Pt
• 平均质量: 379.14494
• 单一同位素质量: 377.99779373
• SMILES: c1ccncc1.N.N.[Cl-].Cl[Pt+]
• Canonical SMILES: c1cccnc1.[Pt+]Cl.N.N.[Cl-]
• InChI: InChI=1S/C5H5N.2ClH.2H3N.Pt/c1-2-4-6-5-3-1;;;;;/h1-5H;2*1H;2*1H3;/q;;;;;+2/p-2
• InChIKey: JDWBOMGRVMIMAU-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: chloroplatinumylium pyridine diamine chloride
• IUPAC传统名: chloroplatinumylium pyridine diamine chloride
• 别名: Pyriplatin; cis-Diammine(pyridine)chloroplatinum(II) chloride; cis-[Pt(NH3)2(py)Cl]+ chloride; cDPCP

登记号

• CAS号: 106343-54-8
• MDL号: MFCD12912400
• PubChem SID: 162248572
• PubChem CID: 71311860

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 0.6230428
• LogD (pH = 7.4): 0.75354445
• Log P: 0.7555734
• 摩尔折射率: 23.9011 cm^3
• 极化性: 9.4423685 Å^3
• 极化表面积: 12.89 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: >10 mg/mL
• 外观: white to off-white solid

安全信息

• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 1
• 危险公开号: 22-36/37/38-42/43
• 安全公开号: 26-36-45
• GHS危险品标识: GHS07; GHS08
• GHS警示词: Danger
• GHS危险声明: H302-H315-H317-H319-H334-H335
• GHS警示性声明: P261-P280-P305 + P351 + P338-P342 + P311
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C5H11Cl2N3Pt

详细说明

Sigma Aldrich - C0996

Biochem/physiol Actions
cDPCP is a tumor cell permeable, potent platinum-based antineoplastic agent. It is a cationic monofunctional platinum(II) complex with unique chemical and biological properties. cDPCP binds covalently only to a single DNA base (the N7 atom of a single guanosine residue), and thus forms monofunctional rather than bifunctional lesions with DNA. cDPCP effectively blocks transcription from DNA templates carrying adducts of the complex, unlike DNA lesions of other monofunctional platinum(II) compounds.