5-메톡시트립타민
5-메톡시트립타민 · 5-Methoxyindoleacetate · 2-(5-METHOXY-1H-INDOL-3-YL)ETHANAMINE · 2-(5-methoxy-1H-indol-3-yl)acetic acid · Methoxytryptamine · MEXAMINE · O-METHYLSEROTONIN · Melatonin Related CoMpound A
식별자 및 물리적 특성
| CAS No. | 608-07-1 |
|---|---|
| 분자식 | C11H14N2O |
| 평균 분자량 | 190.24 g/mol |
| 단동위원소 질량 | 190.11061307 g/mol |
| SMILES | COc1ccc2[nH]cc(CCN)c2c1 |
| InChIKey | JTEJPPKMYBDEMY-UHFFFAOYSA-N |
| PubChem CID | 1833 |
| ChEMBL | CHEMBL8165 |
| ChEBI | CHEBI:2089 |
| EC No. | 210-153-7 |
| DTXSID | DTXSID60209638 |
| 현지명 | 5-메톡시트립타민 |
화학 및 물리적 성질
| XLogP | 0.5 |
|---|---|
| 극성 표면적 | 51 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 186 |
| 녹는점 | 121.5 °C121-123 °C (lit.) |
| Physical Description | Solid |
| Collision Cross Section | 143.3 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]142.7 Ų [M+Na]+ [CCS Type: TW141.18 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)] |
| 끓는 점 | 325.75°C (rough estimate) |
| 밀도 | 1.0815 (rough estimate) |
| 굴절률 | 1.5700 (estimate) |
| 저장 조건 | 2-8°C |
| 용해도 | 클로로포름(약간 용해됨), 메탄올(약간 용해됨) |
| pKa(산도 계수) | 16.91±0.30(Predicted) |
| 물리적 상태 | 수정 같은 |
| 색상 | 하얀색 |
| Merck | 13,6032 |
| BRN | 145587 |
| InChI | InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3 |
| InChIKey | JTEJPPKMYBDEMY-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=C(OC)C=C2)C(CCN)=C1 |
| NIST | 5-Methoxytryptamine(608-07-1) |
화학적 성질
White to tan crystalline powder
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 2% (1 of 49) of reports.WarningH302 (95.9%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Status: Active Update: 09-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19684 |
| Hazard Classes and Categories | Acute Tox. 4 (95.9%) |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | NL4110000 |
| 독성 | LD50 intraperitoneal in mouse: 176mg/kg |
| 관세 코드 | 29339900 |
| 위험 문구(R) | 22-36/37/38-20/21/22 |
| 위험 표시 | Xn |
| 안전 문구(S) | 36-26 |
| F 고인화성물질 | 8 |
| 위험 등급 | Acute Tox. 4 Oral |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
5-Methoxytryptamine (5-MT), also known as mexamine, is a tryptamine derivative closely related to the neurotransmitters serotonin and melatonin. 5-MT has been shown to occur naturally in the body in low levels.It is biosynthesized via the deacetylation of melatonin in the pineal gland.The protective effect of 5-methoxytryptamine (a metabolite of melatonin) in human keratinocytes against ultraviolet B (UVB) radiation was studied.Melatonin and its metabolites ameliorate ultraviolet B-induced damage in human epidermal keratinocytes.
용도
5-Methoxytryptamine (Mexamine, Methoxytryptamine) is a tryptamine derivative that is closely related to the neurotransmitter Melatonin (M215000) and Serotonin (S274980). It acts as a full agonist at the 5-HT1, 5-HT2, 5-HT4, 5-HT6, and 5-HT7 receptors but has no affinity for the 5-HT3 receptor.
일반 설명
The protective effect of 5-methoxytryptamine (a metabolite of melatonin) in human keratinocytes against ultraviolet B (UVB) radiation was studied.