3-아미노프로판설포닉애씨드
3-아미노프로판설포닉애씨드 · HOMOTAURINE · TRAMIPROSATE · 3-AMINOPROPANE-1-SULFONIC ACID · 3-AMINOPROPANESULFONIC ACID · 3 APS · NC 758 · TRAMIP
식별자 및 물리적 특성
| CAS No. | 3687-18-1 |
|---|---|
| 분자식 | C3H9NO3S |
| 평균 분자량 | 139.18 g/mol |
| 단동위원소 질량 | 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 |
| 현지명 | 3-아미노프로판설포닉애씨드 |
화학 및 물리적 성질
| XLogP | -3.8 |
|---|---|
| 극성 표면적 | 88.8 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 133 |
| 용해도 | <0.3 [ug/mL] (The mean of the results at pH 7.4)물(약간 용해됨) |
| 녹는점 | 293 °C (dec.)(lit.) |
| 밀도 | 1.202 (estimate) |
| 굴절률 | 1.5130 (estimate) |
| 저장 조건 | 2-8°C |
| pKa(산도 계수) | 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(분배 계수) | -4.555 |
화학적 성질
White Powder
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 규제 정보 | 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%) |
| 수질 위해 등급(WGK) | 1 |
| 운송 번호(UN) | UN2585 |
| 관세 코드 | 29049090 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
| 위험 등급 | 8 |
| 저장 분류 | 13 - Non Combustible Solids |
용도
개요
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.
용도
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.