Phosphocreatine

Base Information

• Chemical Name: Phosphocreatine
• CAS No.: 67-07-2
• Molecular Formula: C4H10 N3 O5 P
• Molecular Weight: 211.114
• Hs Code.: 2942000000
• European Community (EC) Number: 200-643-9
• UNII: 020IUV4N33
• DSSTox Substance ID: DTXSID0058776
• Wikipedia: Phosphocreatine
• Metabolomics Workbench ID: 37839
• ChEMBL ID: CHEMBL1204644
• Mol file: 67-07-2.mol

Synonyms:Creatine Phosphate;Disodium Salt Phosphocreatine;Neoton;Phosphate, Creatine;Phosphocreatine;Phosphocreatine, Disodium Salt;Phosphorylcreatine

Chemical Property of Phosphocreatine

Chemical Property:

• Appearance/Colour: Off-White Solid
• Vapor Pressure: 3.19E-12mmHg at 25°C
• Melting Point: >300 °C(lit.)
• Refractive Index: 1.626
• Boiling Point: 520.3 °C at 760 mmHg
• PKA: pKa 4.7± 0.01(H2O,t =25)(Approximate)
• Flash Point: 268.5 °C
• PSA: 143.76000
• Density: 1.83 g/cm ³
• LogP: -0.88950
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Water
• XLogP3: -2.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 211.03580743
• Heavy Atom Count: 13
• Complexity: 271

Purity/Quality:

98%, ^*data from raw suppliers

CreatinePhosphate(Phosphocreatine),>85% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Biological Agents -> Other Biomolecules
• Canonical SMILES: CN(CC(=O)O)C(=NP(=O)(O)O)N
• Isomeric SMILES: CN(CC(=O)O)/C(=N/P(=O)(O)O)/N
• Recent ClinicalTrials: Rapid Antidepressant Effects of ATP and Phosphocreatine
• Uses: Phosphocreatine used in the synthesis of hydroxypatite nanorod/nanosheets. Phosphocreatine is used in the treatment of heart and brain ischemia.

Technology Process of Phosphocreatine

There total 12 articles about Phosphocreatine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

Creatinine (57-00-1) → Phosphocreatine (67-07-2)

Guidance literature:

With sodium hydroxide; trichlorophosphate; at 0 ℃;

Reference yield:

creatine-phosphate → Phosphocreatine (67-07-2)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In ethyl acetate; for 3h; Time; Reflux;

Reference yield:

C14H26N3O9P (959586-48-2) → C9H18N3O7P (959586-49-3) + Phosphocreatine (67-07-2)

Guidance literature:

With Caco-2 cells homogenate S₉-fraction; In water; at 37 ℃; for 1h; pH=7.4; Reactivity; 0.1M Tris buffer; Enzymatic reaction;

upstream raw materials:

N-(diphenoxyphosphoryl-carbamimidoyl)-N-methyl-glycine benzyl ester

phosphoenolpyruvic acid

Creatinine

1-methyl-4-nitrosobenzene

Downstream raw materials:

creatinine

ATP

Creatinine

Creatinine

Refernces

• 1、 -. "Preparation of phosphorus-nitrogen flame retardant and application of phosphorus-nitrogen flame retardant in anti-aging flame-retardant composite material". Paragraph 0022; 0024; 0026. . Retrieved 2021/08/07.
• 2、 -. "Creatine phosphate prodrugs, compositions and uses thereof". Page/Page column 57. . Retrieved 2010/11/29.