6,9-dihydro-1H-purin-6-one

• ChemBase ID: 3700
• Molecular Formular: C5H4N4O
• Molecular Mass: 136.11146
• Monoisotopic Mass: 136.03851077
• SMILES: O=c1[nH]cnc2[nH]cnc12
• Canonical SMILES: O=c1[nH]cnc2c1nc[nH]2
• InChI: InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
• InChIKey: FDGQSTZJBFJUBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,9-dihydro-1H-purin-6-one; 6,7-dihydro-1H-purin-6-one; purin-6-one
• IUPAC Traditional name: 1,9-dihydro-6H-purin-6-one; sarkin; 6-oxopurine
• Synonyms: 6-Hydroxypurine; HYPOXANTHINE ANHYDROUS; 1,9-dihydro-6H-purin-6-one; Hypoxanthine; Hypoxanthine; 6-羟基嘌呤; 次黄嘌呤

Database IDs

• CAS Number: 68-94-0
• EC Number: 200-697-3
• MDL Number: MFCD00005725
• Beilstein Number: 5811
• PubChem SID: 24895850; 160967138; 46507200; 24895864
• PubChem CID: 790; 23644335

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.524195
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.8796391
• LogD (pH = 7.4): -0.90742445
• Log P: -0.8792696
• Molar Refractivity: 36.0452 cm^3
• Polarizability: 11.929484 Å^3
• Polar Surface Area: 70.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: -0.86
• LOG S: -1.43
• Solubility (Water): 5.16e+00 g/l

PROPERTIES

Physical Property

• Solubility: 1 M NaOH: soluble25 mg/mL
• Apperance: powder
• Melting Point: >300 °C(lit.); 150°C (dec.); 299 - 300°C
• Hydrophobicity(logP): -1.49

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: UP0791000
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Pharmacology Properties

• Target: Others

Product Information

• Purity: ≥99%; ≥99%; ≥99.0% (HPLC); 95%; 98%
• Salt Data: Free Base
• Suitability: suitable for cell culture
• Empirical Formula (Hill Notation): C5H4N4O

DETAILS

MP Biomedicals - 05208579

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02102030

Anhydrous
Crystalline
Purity: 99+%

DrugBank - DB04076

• Drug Groups: experimental
• Description: A purine and a reaction intermediate in the metabolism of adenosine and in the formation of nucleic acids by the salvage pathway. [PubChem]

Sigma Aldrich - H9636

Application
Use to prepare hybridoma selection and maintenance media.
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.

Sigma Aldrich - H9377

包装
1, 5, 25, 100 g in poly bottle
Application
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 the purine base of the nucleoside inosine. Hypoxanthine may be used as a substrate to study the specificity and kinetics of hypoxanthine-guanine phosphoribosyl transferases.

Sigma Aldrich - H61200

Application
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.

Sigma Aldrich - 56700

Application
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.