N-Acetylserotonin

HCID 903CAS 1210-83-9
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기본 정보

표준 SMILES
CC(=O)NCCc1c[nH]c2ccc(O)cc12
InChIKey
MVAWJSIDNICKHF-UHFFFAOYSA-N
분자식
C12H14N2O2
평균 분자량
218.25 g/mol
단동위원소 질량
218.10552769

개요

N-acetylserotonin is an N-acylserotonin resulting from the formal condensation of the primary amino group of serotonin with the carboxy group of acetic acid. It has a role as a tropomyosin-related kinase B receptor agonist, an antioxidant, a mouse metabolite and a human metabolite. It is a N-acylserotonin, a member of acetamides and a member of phenols.

이름 및 식별자

우선 이름
N-Acetylserotonin
IUPAC
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide
영어명
N-ACETYL-5-HYDROXYTRYPTAMINE
분자식
C12H14N2O2
분자량
218.25

이름 및 동의어

N-acetylserotonin1210-83-9N-[2-(5-Hydroxy-1H-indol-3-yl)ethyl]acetamideNormelatoninO-DemethylmelatoninN-(2-(5-Hydroxy-1H-indol-3-yl)ethyl)acetamideP4TO3C82WVDTXSID00153106CHEBI:17697N-acetylhydroxytryptamineRefChem:828919DTXCID3075597
이름 더 보기
NormelatoniAKOS BC-0717N-Acetyl-5-HTACETYL-SEROTONINE
214-916-5N-Acetyl-5-hydroxytryptamineacetylserotoninN-ACETYL SEROTONIN5-Hydroxy-N-acetyltryptamine5-HydroxymelatoninAcetyl-5-hydroxy-tryptamineMFCD00005656

데이터베이스 식별자

CAS
1210-83-9
PubChem CID
903
DTXSID
DTXSID00153106
ChEMBL
CHEMBL33103
ChEBI
CHEBI:17697
UNII
P4TO3C82WV
EC Number
214-916-5
Nikkaji
J125.886I

물성

구조 계산 물성

XLogP
0.5
극성 표면적
65.1 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
2
회전 가능 결합 수
3
무거운 원자 수
16

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15
Solubility>32.7 [ug/mL] (The mean of the results at pH 7.4)
Physical DescriptionSolid
Collision Cross Section · 3건

148.65 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

153.5 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

153.8 Ų [M+Na]+

물리화학적 성질

녹는점
120 · 120-122 °C (lit.)
끓는 점
556.8 · 556.8±40.0 °C(Predicted)
밀도
1.268 · 1.268±0.06 g/cm3(Predicted)
저장 조건
2 · 2-8°C
용해도
50 mg/mL · 에탄올: 50mg/mL
물리적 상태
가루

화학적 성질

white to off-white or slightly pink powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk
3
HS 번호
29339900
safety_code
22-24/25
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

Metabolism/MetabolitesN-Acetyl-5-hydroxytryptamine has known human metabolites that include 3-(2-Acetamidoethyl)-1H-indol-5-yl hydrogen sulfate and (2S,3S,4S,5R)-6-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Tissue LocationsKidney
Cellular LocationsCytoplasm
Metabolite PathwaysTryptophan metabolism

응용 분야

용도A metabolite of Melatonin (M215000).

일반 설명N-Acetylserotonin (NAS)/normelatonin acts as a precursor of melatonin in the tryptophan metabolic pathway.

상·하류 제품 정보

하류 제품

공급사50 곳

陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]

추가 설명

정의ChEBI: A member of the class of hydroxyindoles that is the N-acetyl derivative of serotonin.

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