基本情報
- CAS
66521-40-2- 標準SMILES
CC(=O)NCCc1c[nH]c2ccc(O)cc12- InChIKey
MVAWJSIDNICKHF-UHFFFAOYSA-N- 分子式
- C12H14N2O2
- 平均分子量
- 218.25 g/mol
概要
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.
名称と識別子
- 優先名称
- N-Acetylserotonin
- IUPAC
- N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide
- 英語名
- [2H4]-N-Acetyl-5-hydroxytryptamine
- 分子式
- C12H14N2O2
- 分子量
- 218.26
名称と別名
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
名称をさらに表示
N-Acetyl-5-hydroxytryptamine-[d4][2H4]-N-Acetyl-5-hydroxytryptamineN-Acetyl-5-Hydroxytryptamine-[D4] (Standard)
214-916-5N-Acetyl-5-hydroxytryptamineacetylserotoninN-ACETYL SEROTONIN5-Hydroxy-N-acetyltryptamine5-HydroxymelatoninAcetyl-5-hydroxy-tryptamineMFCD00005656
データベース識別子
- CAS
66521-40-2- ChEMBL
CHEMBL33103- ChEBI
CHEBI:17697- UNII
- P4TO3C82WV
- EC Number
- 214-916-5
- Nikkaji
- J125.886I
物性
構造計算による物性
- XLogP
- 0.5
- 極性表面積
- 65.1 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 2
- 回転可能結合数
- 3
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 257
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
Solubility>32.7 [ug/mL] (The mean of the results at pH 7.4)
Physical DescriptionSolid
Collision Cross Section
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)]
150.6 Ų [M-H]-
安全と法規制
GHS分類
GHS Classification
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.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 4 (100%)
化学と産業
薬理情報
Metabolism/MetabolitesN-Acetyl-5-hydroxytryptamine has known human metabolites that include (2S,3S,4S,5R)-6-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid and 3-(2-Acetamidoethyl)-1H-indol-5-yl hydrogen sulfate.
Tissue LocationsKidney
Cellular LocationsCytoplasm
Metabolite PathwaysTryptophan metabolism
サプライヤー4 社
玺标（上海）科技有限公司18512111473 18512111473 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
曼哈格（上海）生物科技有限公司400-818 0104 18918165978 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…