5-amino-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

• ChemBase ID: 102251
• Molecular Formular: C4H4N6O
• Molecular Mass: 152.11416
• Monoisotopic Mass: 152.04465878
• SMILES: Nc1nc2c(nn[nH]2)c(=O)[nH]1
• Canonical SMILES: Nc1[nH]c(=O)c2c(n1)[nH]nn2
• InChI: InChI=1S/C4H4N6O/c5-4-6-2-1(3(11)7-4)8-10-9-2/h(H4,5,6,7,8,9,10,11)
• InChIKey: LPXQRXLUHJKZIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
• IUPAC Traditional name: 8-azaguanine; @8-azaguanine
• Synonyms: Azaguanine-8; 8-Azaguanine; 2-Amino-6-oxy-8-azapurine; 2-Amino-6-hydroxy-8-azapurine; 8-AzaG; Guanazolo; 8-AZAGUANINE; 2-氨基-6-氧-8-氮杂嘌呤; 2-氨基-6-羟基-8-氮杂嘌呤; 癌散; 8-氮鸟嘌呤

Database IDs

• CAS Number: 134-58-7
• EC Number: 205-148-1
• MDL Number: MFCD00056937
• Beilstein Number: 171098
• PubChem SID: 24847157; 24890963; 162088507
• PubChem CID: 8646

CALCULATED PROPERTIES

• Acid pKa: 6.497695
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -1.1450243
• LogD (pH = 7.4): -1.9809532
• Log P: -1.1044888
• Molar Refractivity: 37.1144 cm^3
• Polarizability: 12.318413 Å^3
• Polar Surface Area: 109.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder
• Melting Point: >300 °C(lit.)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: XZ6157000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• Safety Statements: 22-24/25
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: -20°C

Pharmacology Properties

• Target: Others

Product Information

• Purity: ~97%; ≥99.0% (HPLC); 98%
• Grade: Hybri-Max™
• Salt Data: Free Base
• Suitability: suitable for hybridoma
• Ignition Residue: ≤0.5%
• Impurities: ≤1% water
• Sterility: γ-irradiated
• Empirical Formula (Hill Notation): C4H4N6O

DETAILS

MP Biomedicals - 02100830

Crystalline
Purity: Approx. 97%

Sigma Aldrich - A5284

Application
用作杂交瘤细胞培养应用中的骨髓瘤选择剂。
Reconstitution
10mL 无菌细胞培养基可复原一小瓶本品。储备液足以制备 500mL 培养基。10mg/瓶包装的最终工作浓度：130μM 8-氮鸟嘌呤。分析证书上提供了每瓶的含量。
法律信息
Hybri-Max 商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 11410

Other Notes
Guanine analogue. Incorporated into RNA, causes translation errors from mRNA to protein, review1