N-(3-methylbut-2-en-1-yl)-9H-purin-6-amine

• ChemBase编号: 6371
• 分子式: C10H13N5
• 平均质量: 203.24372
• 单一同位素质量: 203.11709544
• SMILES: CC(=CCNc1c2nc[nH]c2ncn1)C
• Canonical SMILES: CC(=CCNc1ncnc2c1nc[nH]2)C
• InChI: InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15)
• InChIKey: HYVABZIGRDEKCD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(3-methylbut-2-en-1-yl)-9H-purin-6-amine
• IUPAC传统名: ipade; N-(3-methylbut-2-en-1-yl)-9H-purin-6-amine
• 别名: N6-(2-异戊烯基)腺嘌呤; 6-(γ,γ-二甲基烯丙基氨基)嘌呤; N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE; Zeatin; Isopentenyladenine; 2iP; 6-(γ,γ-Dimethylallylamino)purine; N^6-(Δ^2-Isopentenyl)adenine; 6-(γ,γ-DIMETHYLALLYLAMINO) PURINE

登记号

• CAS号: 2365-40-4
• MDL号: MFCD00132998
• PubChem SID: 24894149; 24894153; 24893984; 160969699
• PubChem CID: 92180

理论计算性质

JChem

• Acid pKa: 9.867981
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 0.99724567
• LogD (pH = 7.4): 1.1265212
• Log P: 1.1319374
• 摩尔折射率: 61.2109 cm^3
• 极化性: 22.302963 Å^3
• 极化表面积: 66.49 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 1.2
• LOG S: -3.37
• 溶解度: 8.69e-02 g/l

分子性质

安全信息

• 保存条件: 0°C
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves; Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

药理学性质

• 生物活性机理: Growth factor

产品相关信息

• 纯度: ≥90%; ≥98.5%
• 浓度: 1 mg/mL
• 适用性: plant cell culture tested
• 生物来源: Isol. from Corynebacterium fascians
• 无菌消毒: sterile-filtered
• 应用领域: Highly active cytokinin
• 产品质量级别: GMP

详细说明

MP Biomedicals - 02195144

[N^6 -(Δ^2 -Isopentenyl)adenine] Crystalline A plant cytokinin produced during mold development and a spore germination inhibitor. It also serves as a general kinase inhibitor.

DrugBank - DB08768

Drug information: experimental

Sigma Aldrich - D7674

Application
6-(γ,γ-Dimethylallylamino)purine (2iP) is a bacteria-derived riboside cytokinin used to grow plant tissues such as tobacco and soybean callus. 2iP is a precursor of the cytokinin Zeatin. 2iP has been used in Schenk and Hildebrandt medium to support in vitro propagation of microshoot cultures from shoot tips of Genista plants.

Sigma Aldrich - D5912

Application
6-(γ,γ-Dimethylallylamino)purine (2iP) is a bacteria-derived riboside cytokinin used to grow plant tissues such as tobacco and soybean callus. 2iP is a precursor of the cytokinin Zeatin. 2iP has been used in Schenk and Hildebrandt medium to support in vitro propagation of microshoot cultures from shoot tips of Genista plants.

Sigma Aldrich - D7660

Application
6-(γ,γ-Dimethylallylamino)purine (2iP) is a bacteria-derived riboside cytokinin used to grow plant tissues such as tobacco and soybean callus. 2iP is a precursor of the cytokinin Zeatin. 2iP has been used in Schenk and Hildebrandt medium to support in vitro propagation of microshoot cultures from shoot tips of Genista plants.

参考文献

• Leonard, N.J. et al., Chem. Comm., 1967, 973, (synth)