chloroplatinumylium pyridine diamine chloride

• ChemBase ID: 154433
• Molecular Formular: C5H11Cl2N3Pt
• Molecular Mass: 379.14494
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: chloroplatinumylium pyridine diamine chloride
• IUPAC Traditional name: chloroplatinumylium pyridine diamine chloride
• Synonyms: Pyriplatin; cis-Diammine(pyridine)chloroplatinum(II) chloride; cis-[Pt(NH3)2(py)Cl]+ chloride; cDPCP

Database IDs

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

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.6230428
• LogD (pH = 7.4): 0.75354445
• Log P: 0.7555734
• Molar Refractivity: 23.9011 cm^3
• Polarizability: 9.4423685 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: >10 mg/mL
• Apperance: white to off-white solid

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 22-36/37/38-42/43
• Safety Statements: 26-36-45
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H317-H319-H334-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P342 + P311
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• Storage Temperature: 2-8°C

Product Information

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

DETAILS

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.