9H-purin-6-amine hydrochloride

• ChemBase编号: 73226
• 分子式: C5H6ClN5
• 平均质量: 171.58764
• 单一同位素质量: 171.0311729
• SMILES: c12c(c(ncn1)N)nc[nH]2.Cl
• Canonical SMILES: Nc1ncnc2c1nc[nH]2.Cl
• InChI: InChI=1S/C5H5N5.ClH/c6-4-3-5(9-1-7-3)10-2-8-4;/h1-2H,(H3,6,7,8,9,10);1H
• InChIKey: UQVDQSWZQXDUJB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 9H-purin-6-amine hydrochloride
• IUPAC传统名: adenine hydrochloride
• 别名: 6-氨基嘌呤 盐酸盐 水合物; 腺嘌呤盐酸盐; 腺嘌呤 单盐酸盐; Adenine hydrochloride; Adenine hydrochloride hydrate; 6-Aminopurine hydrochloride; Adenine hydrochloride; 6-Aminopurine HCl; Adenine monohydrochloride

登记号

• CAS号: 2922-28-3; 2922-28-3(anhydrous); 6055-72-7
• EC号: 220-867-0
• MDL号: MFCD00150864; MFCD00075782
• Beilstein号: 4009585
• PubChem SID: 24891498; 24845207; 24891361; 162038146
• PubChem CID: 76219

理论计算性质

• Acid pKa: 9.903183
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -0.70830727
• LogD (pH = 7.4): -0.53768605
• Log P: -0.5310127
• 摩尔折射率: 36.5993 cm^3
• 极化性: 13.358205 Å^3
• 极化表面积: 80.48 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: soluble50 mg/mL
• 外观: powder
• 熔点: ~285 °C (dec.); ca 290°C dec.

安全信息

• 保存条件: -20°C; Room Temperature (15-30°C)
• 欧盟危险性物质标志: X; 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22
• 安全公开号: 36
• TSCA收录: 是
• GHS危险品标识: GHS06; GHS07
• GHS警示词: Warning
• GHS危险声明: H301; H302
• GHS警示性声明: P264-P270-P301+P310-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

药理学性质

• 作用靶点: Antimetabolites

产品相关信息

• 纯度: ≥99%; ≥99.0% (HPLC); 98+%, cont. up to ca 5% water
• 成盐信息: hydrochloride
• 适用性: suitable for cell culture
• 干燥失重: ≤5% loss on drying
• Empirical Formula (Hill Notation): C5H5N5 · HCl

详细说明

MP Biomedicals - 02194608

Cell Culture Reagent
Hydrochloride

Selleck Chemicals - S1983

Research Area: Cancer
Biological Activity:
Adenine hydrochloride is a hydrochloride 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 HCl[1] [1] http://en.wikipedia.org/wiki/Adenine, ,

Sigma Aldrich - A8751

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).

参考文献

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