CAS 3687-18-1 Tramiprosate (HCID 1646)

Namen und Bezeichner

Bevorzugter Name: Tramiprosate
IUPAC: 3-aminopropane-1-sulfonic acid
Lokaler Name: 3-Aminopropan-1-sulfonsaeure
Englischer Name: 3-Amino-1-propanesulfonic acid
Summenformel: C3H9NO3S
Molmasse: 139.17

Namen und Synonyme

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

Weitere Namen anzeigen

3-AMINOPROPANE-1-SULFONIC ACID3 APSNC 758TRAMIPNSC 77071Homotaurin

TramiprosatoNSC-770715K8EAX0G53DTXSID80190352tramiprosatumLU-02659NC531 cpdRefChem:898661

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -3,8
Polarare Oberfläche (TPSA): 88,8 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 8
Formalladung: 0
Komplexität: 133

Experimentelle und physikochemische Eigenschaften

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

Physikochemische Eigenschaften

Schmelzpunkt: 293 °C · 293 °C (dec.)(lit.)
Dichte: 1.202 · 1.202 (estimate)
Brechungsindex: 1.513 · 1.5130 (estimate)
storage temp.: 2 · 2-8°C
Löslichkeit: Water (Slightly)
pka: 1.06 · 1.06±0.50(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: White to slightly blue
Kosmetik-Inhaltsstoffe Funktionen: SURFACTANT - HYDROTROPESURFACTANT - CLEANSING
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 Datenbank: 3687 · 3687-18-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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.

Gefahrenhinweise

Regulatory Information · 2 Einträge

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%)

Regulatorische Informationen

Regulatory Information · 2 Einträge

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.

Sicherheitsdaten

wgk: 1
ridadr: UN2585
hs_code: 29049090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: 8
Speicherklasse: 13 - Non Combustible Solids

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 2 Einträge

Drugs used to prevent SEIZURES or reduce their severity.

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

Verwendung und Herstellung

Use ClassificationCosmetics -> Surfactant; Hydrotrope

Anwendungen · 2 Einträge

BeschreibungHomotaurine (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.

Verwenden3-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.