N-(3-アミノプロピル)-1,4-ブタンジアミン·3塩酸塩
スペルミジン3塩酸塩 · スペルミジン·3塩酸塩 · N-(3-アミノプロピル)-1,4-ブタンジアミン·3塩酸塩 · スペルミジン三塩酸塩 · スペルミジン, 三塩酸塩, 結晶 · スペルミジン 三塩酸塩 · スペルミジン, 三塩酸塩, 結晶, 99% · SPERMIDINE 3HCL
識別子と物理属性
| CAS No. | 334-50-9 |
|---|---|
| 分子式 | C7H22Cl3N3 |
| 平均分子量 | 254.6 g/mol |
| 単同位体質量 | 253.087931 g/mol |
| SMILES | Cl.Cl.Cl.NCCCCNCCCN |
| InChIKey | LCNBIHVSOPXFMR-UHFFFAOYSA-N |
| PubChem CID | 9539 |
| ChEMBL | CHEMBL1256356 |
| ChEBI | CHEBI:233088 |
| EC No. | 206-379-0 |
| DTXSID | DTXSID0059825 |
| 現地名 | N-(3-アミノプロピル)-1,4-ブタンジアミン·3塩酸塩 |
化学・物理的性質
| 極性表面積 | 64.1 |
|---|---|
| 水素結合供与体数 | 6 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 7 |
| 重原子数 | 13 |
| 形式電荷 | 0 |
| 複雑度 | 56.8 |
| 物質分類 | Other Uses -> Biochemical Research |
| Physical Description | Solid[Merck Index] White hygroscopic powder[Sigma-Aldrich MSDS] |
| 融点 | 257-259 °C(lit.) |
| 貯蔵条件 | room temp |
| 溶解度 | H2O: 1M at20℃、透明、無色水に溶ける |
| 外観・状態 | 結晶性粉末 |
| 色 | 白い |
| pH | 3.0-6.0 (25℃, 1M in H2O) |
| 由来生物 | microbialsynthetic |
| BRN | 3552356 |
| 化粧品成分の機能 | ヘアコンディショニング |
| InChI | InChI=1S/C7H19N3.3ClH/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H23*1H |
| InChIKey | LCNBIHVSOPXFMR-UHFFFAOYSA-N |
| SMILES | C(CCCN)NCCCN.Cl.Cl.Cl |
| CAS データベース | 334-50-9(CAS DataBase Reference) |
| EPAの化学物質情報 | 1,4-Butanediamine, N-(3-aminopropyl)-, trihydrochloride (334-50-9) |
化学的特性
Spermidine trihydrochloride appears as white to off-white crystalline powder, which is soluble in water(100mg/ml-clear, colorless solution), very hygroscopic, and air-sensitive.
安全性と法規制
| GHS 分類 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | 1,4-Butanediamine, N-(3-aminopropyl)-, trihydrochloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| 有害性の概要 | Causes convulsions in acute intraperitoneal studies of rats and mice[RTECS] A skin and strong eye irritant[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 3-10 |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | EJ7023000 |
| 税関コード | 29212900 |
| 危険文句（R） | 36/37/38 |
| 危険表示 | Xi |
| 安全措置（S） | 26-36 |
| 危険等級 | Eye Irrit. 2Skin Irrit. 2 |
| 貯蔵分類 | 11 - Combustible Solids |
用途
説明
Spermidine trihydrochloride is a polyamine that inhibits neuronal nitric oxide synthase (nNOS) and binds and precipitates DNA. It may be used to purify DNA binding proteins. Additionally, spermidine stimulates T4 polynucleotide kinase activity. It is involved in growth, development, and the stress response in plants.
使用
Spermidine Trihydrochloride is a NOS1 inhibitor and NMDA and T4 activator. Polyamine that plays an important role in the regulation of cellular proliferation and differentiation. It was in a structural and functional study of polyamines, where potassium and sodium ions were found to promote different effects when binding with polyamines. Spermidine trihydrochloride has been used in fourier transform infrared spectroscopy (FTIR)characterization and in zeta-potential measurements.
一般的な説明
Spermidine trihydrochloride is the hydrochloric acid neutralized salt of spermidine. Spermidine is a polyamine and a trivalent organic cation. It is a natural polyamine that stimulates cytoprotective macroautophagy/autophagy. External supplementation of spermidine extends lifespan and health span across species, including in yeast, nematodes, flies and mice. Spermidine trihydrochloride is a more stable form because spermidine is very air sensitive.
製法・合成法
純化方法
Recrystallise the salt from dry 3% HCl in ethanol and adding dry Et2O if necessary. Filter it off rapidly and dry it in a vacuum desiccator. Alternatively centrifuge the crystals off, wash them with dry Et2O and dry them in a vacuum. [Beilstein 4 IV 1300.]