Professional Product Parameters of CAS 987-65-5 (ATP Disodium Salt)

1. Basic Identification

• CAS No.: 987-65-5
• Product Name: Adenosine 5'-triphosphate disodium salt (ATP-Na?)
• MDL Number: MFCD00080339
• EINECS: 213-579-1
• RTECS: AU7417000

2. Chemical Information

• Molecular Formula: C??H??N?Na?O??P? (anhydrous); C??H??N?Na?O??P?·3H?O (trihydrate)
• Molecular Weight: 531.18 g/mol (anhydrous); 585.23 g/mol (trihydrate)
• Exact Mass: 530.98 Da
• Calculated LogP: -4.80
• TPSA: 285.00 ?2
• Hydrogen Bond Donors: 6
• Hydrogen Bond Acceptors: 18
• Rotatable Bonds: 9

3. Physical & Chemical Properties

• Appearance: White to off-white crystalline powder, odorless
• Solubility: Freely soluble in water (50–100 mg/mL at 25 °C, clear colorless solution); practically insoluble in ethanol, acetone and ether
• Melting Point: 188–190 °C (decomposition)
• Density: 1.85 g/cm3 (20 °C)
• pH (1% aqueous solution): 2.5–3.5
• Stability: Highly hygroscopic; sensitive to light, heat, strong acid and alkali; prone to hydrolysis; store under inert nitrogen/argon atmosphere
• Storage Conditions:
  Short-term: 2–8 °C, sealed, dry and light-proof
  Long-term: -20 °C, anhydrous environment with inert gas protection
• Shelf Life: 3 years at -20 °C as powder; 2 years at 4 °C; aqueous solution stable for 6 months at -80 °C

4. Product Specifications (Biochemical / Pharmaceutical Grade)

• Purity: ≥95.0% (standard grade); ≥98.0% (high purity, HPLC); ≥99.0% (pharmaceutical grade)
• Single maximum impurity: ≤1.0%
• Total impurities: ≤2.0%
• Moisture (Karl Fischer): 6.0–12.0%
• Heavy metals total: ≤10 ppm; Pb ≤1.0 ppm, As ≤0.5 ppm, Cd ≤0.5 ppm
• Endotoxin: ≤5 EU/mg (injectable grade)
• Standard Packing: 10 mg, 50 mg, 100 mg, 500 mg, 1 g, 5 g (vial / aluminum foil bag); 1 kg, 5 kg, 25 kg fiber drum

5. Biological Functions & Applications

• Mechanism:
  1. Primary intracellular energy carrier; releases energy upon hydrolysis to support metabolism, muscle contraction and active transport
  2. Endogenous agonist of purinergic P2 receptors, mediating cell signaling, inflammation and immune regulation
• Main Applications:
  1. Biochemical research: Enzymatic assays, energy metabolism, ion channel and cell signaling studies
  2. Pharmaceutical raw material: Improves cardiac and cerebral energy metabolism, anti-fatigue adjuvant therapy for myocarditis and hepatitis
  3. In vitro laboratory use: Cell culture, ATP-dependent enzyme activity detection, molecular biology reagents

6. Safety & Handling Instructions

• GHS Hazard Class: Mild irritant (Xi)
• Safety Phrases: S22, S24/25
• Operation Tips: Handle in well-ventilated fume hood with safety goggles, gloves and lab coat; avoid moisture and light exposure
• Waste Disposal: Dispose in accordance with local chemical reagent regulations
• Reminder: For laboratory research and pharmaceutical use only; medical administration shall follow professional guidance