Professional Product Parameters of CAS 68414-18-6 (ADP-Ribose Sodium Salt)

1. Basic Identification

• CAS No.: 68414-18-6
• Product Name: Adenosine 5'-diphosphoribose sodium salt (ADP-Ribose Na)
• MDL Number: MFCD00136017
• EINECS: 636-188-1
• InChIKey: MBPRZUBFEMLFGQ-UUIVKEFHSA-M

2. Chemical Information

• Molecular Formula: C??H??N?NaO??P? (anhydrous); C??H??N?NaO??P?·2H?O (dihydrate)
• Molecular Weight: 581.30 g/mol (anhydrous); 617.33 g/mol (dihydrate)
• Exact Mass: 581.054 Da
• Calculated LogP: -2.26
• TPSA: 299.00 ?2
• Hydrogen Bond Donors: 8
• Hydrogen Bond Acceptors: 18
• Rotatable Bonds: 12

3. Physical & Chemical Properties

• Appearance: White to off-white or pale yellow crystalline powder, odorless
• Solubility: Freely soluble in water (50–125 mg/mL at 25 °C, clear colorless solution); insoluble in methanol, ethanol, acetone and ether
• pH Value (1% aqueous solution): 6.0–8.0
• Stability: Highly hygroscopic; sensitive to light, heat and oxidation; store under inert nitrogen/argon atmosphere; avoid strong acid and alkali
• Storage Conditions:
  Short-term: 2–8 °C, sealed, dry and light-proof
  Long-term: -20 °C, anhydrous environment with inert gas protection
• Shelf Life: 24 months under recommended storage

4. Product Specifications (Biochemical / Research Grade)

• Purity: ≥93.0% (standard grade); ≥98.0% (high purity, HPLC)
• Single maximum impurity: ≤1.0%
• Total impurities: ≤2.0%
• Moisture (Karl Fischer): ≤8.0%
• Heavy metals total: ≤20 ppm; Pb ≤2.0 ppm, As ≤1.5 ppm, Cd ≤1.0 ppm
• Endotoxin: ≤5 EU/mg (injectable grade)
• Standard Packing: 10 mg, 50 mg, 100 mg, 500 mg, 1 g, 5 g (aluminum foil bag / vial); 25 kg fiber drum

5. Biological Functions & Applications

• Mechanism: Key metabolite of NAD?; primary endogenous activator of Ca2? permeable TRPM2 ion channels; participates in PARP signaling, DNA repair, autophagy regulation and cell death pathways
• Main Applications:
  1. Cell signaling research: TRPM2 channel, calcium signal, PARP pathway, oxidative stress and inflammation models
  2. Biochemical reagent for NAD? metabolism, ADP-ribosylation modification research
  3. Drug screening tool for neuroprotection, anti-inflammation and anti-tumor target study

6. Safety & Handling Instructions

• GHS Hazard Class: Irritant (Xi)
• Risk Phrases: R36/37/38 (Irritating to eyes, respiratory system and skin)
• Safety Phrases: S26, S36
• Operation Tips: Avoid inhalation, skin and eye contact; operate in well-ventilated fume hood with safety goggles and gloves
• Waste Disposal: Dispose in accordance with local chemical waste regulations
• Reminder: Only for laboratory biochemical research; human or animal clinical administration is prohibited