CAS 3687-18-1 Tramiprosate (HCID 1646)

이름 및 식별자

우선 이름: Tramiprosate
IUPAC: 3-aminopropane-1-sulfonic acid
현지명: 3-아미노프로판설포닉애씨드
영어명: 3-Amino-1-propanesulfonic acid
분자식: C3H9NO3S
분자량: 139.17

이름 및 동의어

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

이름 더 보기

3-아미노프로판설포닉애씨드3-AMINOPROPANE-1-SULFONIC ACID3 APSNC 758TRAMIPNSC 77071Homotaurin

TramiprosatoNSC-770715K8EAX0G53DTXSID80190352tramiprosatumLU-02659NC531 cpdRefChem:898661

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -3.8
극성 표면적: 88.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 8
형식 전하: 0
복잡도: 133

실험 및 물리화학적 성질

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

물리화학적 성질

녹는점: 293 °C · 293 °C (dec.)(lit.)
밀도: 1.202 · 1.202 (estimate)
굴절률: 1.513 · 1.5130 (estimate)
저장 조건: 2 · 2-8°C
용해도: 물(약간 용해됨)
산도 계수 (pKa): 1.06 · 1.06±0.50(Predicted)
물리적 상태: 결정성 분말
색상: 흰색에서 약간 파란색
화장품 원료 기능: 계면활성제 - 하이드로트로프계면활성제 - 세정
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

화학적 성질

White Powder

안전 및 규제

GHS 분류

GHS Classification · 6건

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.

유해성 정보

Regulatory Information · 2건

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%)

규제 정보

Regulatory Information · 2건

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.

안전 데이터

wgk: 1
ridadr: UN2585
HS 번호: 29049090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: 8
스토리지 클래스: 13 - Non Combustible Solids

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

Drugs used to prevent SEIZURES or reduce their severity.

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

용도 및 제조

Use ClassificationCosmetics -> Surfactant; Hydrotrope

응용 분야 · 2건

개요Homotaurine (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.

용도3-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.