CAS 3687-18-1 Tramiprosate (HCID 1646)

名称と識別子

優先名称: Tramiprosate
IUPAC: 3-aminopropane-1-sulfonic acid
現地名: 3-スルホプロピルアミン
英語名: 3-Amino-1-propanesulfonic acid
分子式: C3H9NO3S
分子量: 139.17

名称と別名

TramiprosateHomotaurine3687-18-13-aminopropanesulphonic acid1-Propanesulfonic acid, 3-amino-Alzhemed3APS3-aminopropanesulfonic acid3-Aminopropane sulfonic acid3-aminopropylsulfonic acid3-APSNC-531

名称をさらに表示

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トラミプロセート3-AMINOPROPANE-1-SULFONIC ACID3 APSNC 758TRAMIPNSC 77071Homotaurin

TramiprosatoNSC-770715K8EAX0G53DTXSID80190352tramiprosatumLU-02659NC531 cpdRefChem:898661

データベース識別子

CAS: 3687-18-1
PubChem CID: 1646
DTXSID: DTXSID80190352
ChEMBL: CHEMBL149082
ChEBI: CHEBI:1457
UNII: 5K8EAX0G53
EC Number: 222-977-4
Nikkaji: J205.597J

物性

構造計算による物性

XLogP: -3.8
極性表面積: 88.8 Å²
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

実験および物理化学的性質

Solubility<0.3 [ug/mL] (The mean of the results at pH 7.4)

物理化学的性質

融点: 293 °C · 293 °C (dec.)(lit.)
比重(密度): 1.202 · 1.202 (estimate)
屈折率: 1.513 · 1.5130 (estimate)
貯蔵温度: 2 · 2-8°C
溶解性: 水（少々）
酸解離定数(Pka): 1.06 · 1.06±0.50(Predicted)
外見: 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: -4.555 · -4.555
CAS データベース: 3687 · 3687-18-1(CAS DataBase Reference)

化学的性質

化学的特性White Powder

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 10.9% (6 of 55) of reports.

Warning

H315 (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 exposure; Respiratory 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.

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 13-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/11638；Status: Active Update: 13-12-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/8247

1-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 CategoriesSkin Irrit. 2 (89.1%)；Eye Irrit. 2A (89.1%)；STOT SE 3 (87.3%)

法規制情報

Regulatory Information · 2 件

Status: Active Update: 13-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/11638；Status: Active Update: 13-12-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/8247

1-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.

安全データ

wgk: 1
ridadr: UN2585
hs_code: 29049090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: 8
ストレージクラス: 13 - Non Combustible Solids

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

Drugs used to prevent SEIZURES or reduce their severity.

Endogenous compounds and drugs that bind to and activate GAMMA-AMINOBUTYRIC ACID receptors (RECEPTORS, GABA).

用途と製造

Use ClassificationCosmetics -> Surfactant; Hydrotrope

応用分野 · 2 件

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.