CID 790

Base Information

• Chemical Name: CID 790
• CAS No.: 68-94-0
• Molecular Formula: C5H4N4O
• Molecular Weight: 136.113
• Hs Code.: 29335990
• Mol file: 68-94-0.mol

Synonyms:

Chemical Property of CID 790

Chemical Property:

• Appearance/Colour: White to off-white powder
• Vapor Pressure: 0.0148mmHg at 25°C
• Melting Point: 250 °C
• Refractive Index: 1.902
• Boiling Point: 533.428 °C at 760 mmHg
• PKA: 8.7(at 25℃)
• Flash Point: 276.407 °C
• PSA: 74.43000
• Density: 1.892 g/cm³
• LogP: -0.35380
• Storage Temp.: 2-8°C
• Solubility.: 1 M NaOH: 25 mg/mL
• Water Solubility.: practically insoluble
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 136.03851076
• Heavy Atom Count: 10
• Complexity: 190

Purity/Quality:

99%, ^*data from raw suppliers

Hypoxanthine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-22-40
• Safety Statements: 22-24/25-37/39-26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=NC2=C(N1)C(=O)N=CN2
• Description: Hypoxanthine is a naturally occurring purine derivative and intermediate in the synthesis of uric acid. It is elevated in the spinal fluid of patients with Lesch-Nyhan syndrome, a metabolic disorder whose symptoms include cerebral palsy, cognitive deficits, motor dysfunction, self-mutilation, and hyperuricemia. Injection of hypoxanthine (10 μM) increases succinate dehydrogenase and complex II activities and decreases cytochrome c oxidase activity, resulting in neuroenergetic impairment, ATP depletion, and cellular apoptosis in rat striatum. It is also used to induce hyperuricemia in mice for use in the development of hypouricemic agents.
• Uses: A naturally occurring purine derivative. Pharmaceuticals, Intermediates & Fine Chemicals Hypoxanthine is a nutrient additive for a variety of cell culture applications involving bacterial, parasite (Plasmodium falciparum) and animal cells. Hypoxanthine is a component of selection media used in hybridoma technologies. Hypoxanthine, is used as a marker for energy perturbation in hypoxia/ ischemia. The compound has been used in studies as in indicator, along with uric acid and allantoin , of in vivo free radical reactions. It has been also used in DNA studies to investigate the destabilizing effect it has on DNA duplexes containing hypoxanthine as a base, in a gas phase versus a liquid phase. Hypoxanthine has also been used in studies along with 8-oxoguanine nucleotides to investigate their interaction with human DNA pol ? (DNA polymerase alpha) and DNA polymerase I from Bacillus stearothermophilus. It is also used as a pharmaceutical intermediate.

Technology Process of CID 790

There total 148 articles about CID 790 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:

6-benzyladenine (1214-39-7) → hypoxanthine (68-94-0) + benzylamine (100-46-9)

Guidance literature:

With Pseudoalteromonas atlantica T₆c cytokinin deaminase Patl₂₃₉₀; water; Reagent/catalyst; Kinetics; Enzymatic reaction;

DOI:10.1021/cb200198c

Reference yield:

kinetin (525-79-1) → furan-2-ylmethanamine (617-89-0) + hypoxanthine (68-94-0)

Guidance literature:

With Pseudoalteromonas atlantica T₆c cytokinin deaminase Patl₂₃₉₀; water; Kinetics; Enzymatic reaction;

DOI:10.1021/cb200198c

Reference yield:

adenine (66224-66-6,66224-67-7,66224-68-8,66224-69-9,134434-48-3,134434-49-4,134454-76-5,134461-75-9) + Inosine (58-63-9) → hypoxanthine (68-94-0) + adenosine (58-61-7)

Guidance literature:

With purine nucleoside phosphorylase from Aeromonas hydrophyla, covalently immobilized on aminopropylsilica particles; In aq. phosphate buffer; at 37 ℃; for 0.166667h; pH=7.5; Temperature; pH-value; Time; Concentration; Flow reactor; Enzymatic reaction;

DOI:10.1002/adsc.201500133

upstream raw materials:

formic acid

6-chloro-4,5-diaminopyrimidine

uric Acid

formamide

Downstream raw materials:

6-morpholinopurine

(7⁽⁹⁾H-purin-6-yl)-p-tolyl-amine

(2,6-Dimethyl-phenyl)-(9H-purin-6-yl)-amine

6-Dimethylaminopurine

Refernces

• 1、 Ghanem, Mahmoud,Murkin, Andrew S.,Schramm, Vern L.. "Ribocation Transition State Capture and Rebound in Human Purine Nucleoside Phosphorylase". . p. 971 - 979. Retrieved 2009.
• 2、 Kream,Chargaff. "-". . p. 4274. Retrieved 1952.
• 3、 Kamat, Siddhesh S.,Fan, Hao,Sauder, J. Michael,Burley, Stephen K.,Shoichet, Brian K.,Sali, Andrej,Raushel, Frank M.. "Enzymatic deamination of the epigenetic base N-6-methyladenine". . p. 2080 - 2083. Retrieved 2011.
• 4、 Johnson, Mark D.,Andersen, Bradley D.. "Localization of purine metabolizing enzymes in bovine brain microvessel endothelial cells: An enzymatic blood-brain barrier for dideoxynucleosides?". . p. 1881 - 1886. Retrieved 1996.
• 5、 -. "Synthetic method of nitric acid catalyzed hypoxanthine derivative". Paragraph 0027-0036. . Retrieved 2021/10/11.
• 6、 Cattaneo, Giulia,Rabuffetti, Marco,Speranza, Giovanna,Kupfer, Tom,Peters, Benjamin,Massolini, Gabriella,Ubiali, Daniela,Calleri, Enrica. "Synthesis of Adenine Nucleosides by Transglycosylation using Two Sequential Nucleoside Phosphorylase-Based Bioreactors with On-Line Reaction Monitoring by using HPLC". . p. 4614 - 4620. Retrieved 2017/12/13.