グラミン-Α,Α-D2

Gramine

HCID 178756804CAS 95415-84-2

基本情報

標準SMILES: CN(C)Cc1c[nH]c2ccccc12
InChIKey: OCDGBSUVYYVKQZ-UHFFFAOYSA-N
分子式: C11H14N2
平均分子量: 174.24 g/mol

概要

Gramine is an aminoalkylindole that is indole carrying a dimethylaminomethyl substituent at postion 3. It has a role as an antiviral agent, an antibacterial agent, a serotonergic antagonist and a plant metabolite. It is an aminoalkylindole, an indole alkaloid and a tertiary amino compound. It is a conjugate base of a gramine(1+).

名称と識別子

優先名称: Gramine
IUPAC: 1-(1H-indol-3-yl)-N,N-dimethylmethanamine
現地名: グラミン-Α,Α-D2
英語名: GRAMINE-ALPHA,ALPHA-D2
分子式: C11H14N2
分子量: 174.25

名称と別名

Gramine87-52-53-(Dimethylaminomethyl)indoleDonaxineDonaxinGramin1-(1H-indol-3-yl)-N,N-dimethylmethanamine1H-Indole-3-methanamine, N,N-dimethyl-beta-DimethylaminomethylindoleN,N-Dimethyl-1H-indole-3-methanamine3-(N,N-Dimethylaminomethyl)indole(1H-indol-3-ylmethyl)dimethylamine

名称をさらに表示

グラミン-Α,Α-D2グラミン‐Α,Α‐D2GraMine-a,a-d2Gramine-α,α-D2GRAMINE-ALPHA,ALPHA-D21,1-dideuterio-1-(1H-indol-3-yl)-N,N-dimethylmethanamine

3-[(Dimethylamino)methyl]indoleN,N-Dimethyl-1H-indole-3-methylamineFGQ8A78L14DTXSID3058955NSC-16892CHEBI:289483-((DIMETHYLAMINO)METHYL)INDOLE3-[Dimethylaminomethyl]indole

データベース識別子

CAS: 95415-84-2
ChEMBL: CHEMBL254348
ChEBI: CHEBI:28948
UNII: FGQ8A78L14
EC Number: 201-749-8
Nikkaji: J10.618F

物性

構造計算による物性

XLogP: 1.8
極性表面積: 19 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 13
形式電荷: 0
複雑度: 167

実験および物理化学的性質

Melting Point138 - 139 °C

Physical DescriptionSolid

Collision Cross Section · 2 件

138.42 Å² [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

134.9 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (93.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 32 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information1H-Indole-3-methanamine, N,N-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (93.8%)

化学と産業

薬理情報

Cellular LocationsCytoplasm

用途と製造

General Manufacturing Information1H-Indole-3-methanamine, N,N-dimethyl-: ACTIVE

応用分野

使用Gramine-alpha,alpha-d2 (CAS# 95415-84-2) is a useful isotopically labeled research compound.

サプライヤー5 社

盐城通铭生物科技有限公司15195160625 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]

Clearsynth Labs Limited+91-22-26355700 · [email protected]

上海葑菲医药科技有限公司+8618221552033 · [email protected]