3-スルホプロピルアミン
3-アミノプロピオスルホン酸 · 3-アミノ-1-プロパンスルホン酸 · 3-スルホプロピルアミン · ホモタウリン · 3-アミノプロパンスルホン酸 · 3-アミノプロパン-1-スルホン酸 · トラミプロサート · 3‐アミノ‐1‐プロパンスルホン酸
識別子と物理属性
| CAS No. | 3687-18-1 |
|---|---|
| 分子式 | C3H9NO3S |
| 平均分子量 | 139.18 g/mol |
| 単同位体質量 | 139.03031432 g/mol |
| SMILES | NCCCS(=O)(=O)O |
| InChIKey | SNKZJIOFVMKAOJ-UHFFFAOYSA-N |
| PubChem CID | 1646 |
| ChEMBL | CHEMBL149082 |
| ChEBI | CHEBI:1457 |
| EC No. | 222-977-4 |
| DTXSID | DTXSID80190352 |
| 現地名 | 3-スルホプロピルアミン |
化学・物理的性質
| XLogP | -3.8 |
|---|---|
| 極性表面積 | 88.8 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 4 |
| 回転可能結合数 | 3 |
| 重原子数 | 8 |
| 形式電荷 | 0 |
| 複雑度 | 133 |
| 溶解度 | <0.3 [ug/mL] (The mean of the results at pH 7.4)水（少々） |
| 融点 | 293 °C (dec.)(lit.) |
| 密度 | 1.202 (estimate) |
| 屈折率 | 1.5130 (estimate) |
| 貯蔵条件 | 2-8°C |
| pKa（酸解離定数） | 1.06±0.50(Predicted) |
| 外観・状態 | 結晶性粉末 |
| 色 | 白～やや青 |
| 化粧品成分の機能 | 界面活性剤 - ハイドロトロープ界面活性剤 - 洗浄 |
| InChI | InChI=1S/C3H9NO3S/c4-2-1-3-8(5,6)7/h1-4H2,(H,5,6,7) |
| InChIKey | SNKZJIOFVMKAOJ-UHFFFAOYSA-N |
| SMILES | C(S(O)(=O)=O)CCN |
| LogP（分配係数） | -4.555 |
| CAS データベース | 3687-18-1(CAS DataBase Reference) |
化学的特性
White Powder
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 10.9% (6 of 55) of reports.WarningH315 (89.1%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (89.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (87.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 55 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 6 of 55 reports by companies.There are 7 notifications provided by 49 of 55 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 規制情報 | Status: Active Update: 13-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/11638Status: Active Update: 13-12-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/82471-Propanesulfonic acid, 3-amino-: 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. |
| Hazard Classes and Categories | Skin Irrit. 2 (89.1%)Eye Irrit. 2A (89.1%)STOT SE 3 (87.3%) |
| 水環境危害等級（WGK） | 1 |
| 輸送番号（UN） | UN2585 |
| 税関コード | 29049090 |
| 危険文句（R） | 36/37/38 |
| 危険表示 | Xi |
用途
説明
Homotaurine (also known as tramiprosate (INN), 3-amino-1-propanesulfonic acid, or 3-APS) is a natural sulfonic acid found in seaweed. Tramiprosate is a sulfated glycosaminoglycan mimetic that was reported to bind soluble Aβ and inhibit the interaction of Aβ with endogenous glycosaminoglycans, thereby preventing β-sheet formation. Conversely, tramiprosate was also reported to promote tau polymerization into fibrillar aggregates. It is also an analog of GABA that can act as a partial agonist of GABAA receptors, as well as an antagonist at GABAB receptors.
使用
3-Amino-1-propanesulfonic acid is a Important gabamimetic agent-evokes neurological responses similar to those elicited by γ-aminobutyric acid (GABA). It is an intermediate in the synthesis of acamprosate. acamprosate is an alcohol addiction treatment commonly used to reduce urges to drink and help people in recovery remain sober.