基本情報
- CAS
334-50-9- 標準SMILES
Cl.Cl.Cl.NCCCCNCCCN- InChIKey
LCNBIHVSOPXFMR-UHFFFAOYSA-N- 分子式
- C7H22Cl3N3
- 平均分子量
- 254.6 g/mol
- 単同位体質量
- 253.087931
概要
Spermidine trihydrochloride is an organic molecular entity. It has a role as an EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is functionally related to a spermidine.
名称と識別子
- 優先名称
- Spermidine trihydrochloride
- IUPAC
- N'-(3-aminopropyl)butane-1,4-diamine;trihydrochloride
- 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
- 英語名
- Spermidine trihydrochloride
- 分子式
- C7H22Cl3N3
- 分子量
- 254.63
名称と別名
Spermidine trihydrochloride334-50-9Spermidine hydrochlorideSpermidine HClN-(3-Aminopropyl)-1,4-butanediamine trihydrochlorideEINECS 206-379-0NSC 5283991,4-BUTANEDIAMINE, N-(3-AMINOPROPYL)-, TRIHYDROCHLORIDE1O14BED3981,4-Butanediamine, N-(3-aminopropyl), hydrochloride4-Azoniaoctamethylenediammonium trichlorideNSC-528399
名称をさらに表示
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 3HCLN-(3-AMINOPROPYL)-1,4-DIAMINO-BUTANE TRIHYDROCHLORIDESpermidie 3HCLSPD·3HClSperMidine triSPERMIDINE 3HCSperpmidine HCLSpermidine 3HCl>98%
SPERMIDINE TRIHYDROCHLORIDE [MI]1,4-Butanediamine, N1-(3-aminopropyl)-, hydrochloride (1:3)RefChem:888501SPERMIDINE HCL [INCI]4Azoniaoctamethylenediammonium trichlorideN(3Aminopropyl)1,4butanediamine trihydrochloride1,4Butanediamine, N(3aminopropyl), hydrochloride1,4Butanediamine, N(3aminopropyl), trihydrochloride
物性
構造計算による物性
- 極性表面積
- 64.1 Ų
- 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
実験および物理化学的性質
Chemical ClassesOther Uses -> Biochemical Research
Physical DescriptionSolid; [Merck Index] White hygroscopic powder; [Sigma-Aldrich MSDS]
物理化学的性質
- 融点
- 257 · 257-259 °C(lit.)
- 貯蔵温度
- room temp
- 溶解性
- 2 O: · H2O: 1M at20℃、透明、無色
- 外見
- 結晶性粉末
- 色
- 白い
- PH
- 3 · 3.0-6.0 (25℃, 1M in H2O)
- 由来生物
- microbialsynthetic
- 水溶解度
- 水に溶ける
- BRN
- 3552356 · 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,1-9H2;3*1H
- InChIKey
- LCNBIHVSOPXFMR-UHFFFAOYSA-N
- SMILES
- C(CCCN)NCCCN.Cl.Cl.Cl
- CAS データベース
- 334 · 334-50-9(CAS DataBase Reference)
- EPAの化学物質情報
- 1 · 1,4-Butanediamine, N-(3-aminopropyl)-, trihydrochloride (334-50-9)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H315 (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.
危険有害性情報
Regulatory Information1,4-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.
Hazards SummaryCauses convulsions in acute intraperitoneal studies of rats and mice; [RTECS] A skin and strong eye irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
安全データ
- F
- 3-10
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- EJ7023000
- hs_code
- 29212900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
- ストレージクラス
- 11 - Combustible Solids
化学と産業
用途と製造
UsesFound widely in nature and essential for tissue growth; Used as a tool in biochemical research; [Merck Index]
General Manufacturing Information1,4-Butanediamine, N1-(3-aminopropyl)-, hydrochloride (1:3): ACTIVE
応用分野
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.
調製方法
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.]
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