bis(7H-purin-6-amine); sulfuric acid

• ChemBase ID: 73227
• Molecular Formular: C10H12N10O4S
• Molecular Mass: 368.33188
• Monoisotopic Mass: 368.07636991
• SMILES: c12c(c(ncn1)N)[nH]cn2.c12c(c(ncn1)N)[nH]cn2.S(=O)(=O)(O)O
• Canonical SMILES: OS(=O)(=O)O.Nc1ncnc2c1[nH]cn2.Nc1ncnc2c1[nH]cn2
• InChI: InChI=1S/2C5H5N5.H2O4S/c2*6-4-3-5(9-1-7-3)10-2-8-4;1-5(2,3)4/h2*1-2H,(H3,6,7,8,9,10);(H2,1,2,3,4)
• InChIKey: LQXHSCOPYJCOMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(7H-purin-6-amine); sulfuric acid; bis(9H-purin-6-amine); sulfuric acid
• IUPAC Traditional name: sulfuric acid; bis(vitamin B4); bis(adenine); sulfuric acid
• Synonyms: Adenine hemisulfate; 6-Aminopurine sulfate; Adenine hemisulfate salt; 6-Aminopurine hemisulfate salt; Adenine hemisulfate salt; Adenine sulfate salt; Adenine sulfate; Adenine sulfate; 6-AMINOPURINE SULFATE; 腺嘌呤硫酸盐; 腺嘌呤 半硫酸盐; 6-氨基嘌呤 半硫酸盐; 腺碱 硫酸盐; 腺嘌呤 半硫酸盐; 硫酸腺嘌呤

Database IDs

• CAS Number: 321-30-2
• EC Number: 206-286-5
• MDL Number: MFCD00213655
• Beilstein Number: 3820263
• Merck Index: 14152
• PubChem SID: 162038147; 24890667; 24890722; 24891230
• PubChem CID: 9449

CALCULATED PROPERTIES

• Acid pKa: 9.903183
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.70830727
• LogD (pH = 7.4): -0.53768605
• Log P: -0.5310127
• Molar Refractivity: 36.5993 cm^3
• Polarizability: 13.358205 Å^3
• Polar Surface Area: 80.48 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 0.5 M HCl: soluble10 mg/mL
• Apperance: powder
• Melting Point: 260°C; ca 210°C dec.

Safety Information

• Storage Condition: -20°C
• RTECS: AU7140000
• European Hazard Symbols: X
• German water hazard class: 3
• Risk Statements: 22
• Safety Statements: 36
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H302
• GHS Precautionary statements: P280H
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Pharmacology Properties

• Target: Antimetabolites

Product Information

• Purity: ≥98.0% (HPLC); ≥99%; 97%; 98+%
• Grade: purum
• Salt Data: sulfate
• Suitability: plant cell culture tested; suitable for cell culture
• Linear Formula: C5H5N5 · 1/2H2SO4

DETAILS

MP Biomedicals - 05204558

MP Biomedicals Rare Chemical collection

Selleck Chemicals - S1982

Research Area: Cancer
Biological Activity:
Adenine sulfate is a sulfate salt form of adenine which is a purine derivative and a nucleobase with a variety of roles in biochemistry including cellular respiration, in the form of both the energy-rich adenosine triphosphate (ATP) and the cofactors nicotinamide adenine dinucleotide (NAD) and flavin adenine dinucleotide (FAD), and protein synthesis, as a chemical component of DNA and RNA. The shape of adenine is complementary to either thymine in DNA or uracil in RNA. Adenine is one of the two purine nucleobases (the other being guanine) used in forming nucleotides of the nucleic acids. In DNA, adenine binds to thymine via two hydrogen bonds to assist in stabilizing the nucleic acid structures. In RNA, which is used for protein synthesis, adenine binds to uracil. Adenine forms adenosine, a nucleoside, when attached to ribose, and deoxyadenosine when attached to deoxyribose. Adenine forms adenosine triphosphate (ATP), a nucleotide, when three phosphate groups are added to adenosine. Adenosine triphosphate is used in cellular metabolism as one of the basic methods of transferring chemical energy between chemical reactions. [1]References on Adenine sulfate[1] http://en.wikipedia.org/wiki/Adenine, ,

Sigma Aldrich - A9126

包装
1 kg in poly bottle
25, 100 g in poly bottle
Application
Adenine is a purine nucleobase with a wide range of chemical and biochemical roles in vivo and in vitro. It is a regulatory molecule and a component of DNA, RNA, cofactors (NAD, FAD) and signaling molecules (cAMP).

Sigma Aldrich - A2545

Application
Adenine may be used as a plant cell culture additive. Adenine Sulphate (25mg/L) in the culture media such as Murashige & Skoog media improves the frequency of multiple shoot production and recovered the chlorotic symptoms of the leaves.

REFERENCES

• http://en.wikipedia.org/wiki/Adenine