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Abanoquil , CAS No.90402-40-7

CAS: 90402-40-7 Cat. No.: A668104 分子式: C22H25N3O4 分子量: 395.5 PubChem CID: 164089
COA
Abanoquil - CAS No(90402-40-7) by Aladdin Scientific
注文可能
Synonyms
Abanoquil|2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1h)-yl)-6,7-dimethoxyquinolin-4-amine|UK 52046|Abanoquil [INN:BAN]|4-Amino-2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolyl)-6,7-dimethoxyquinoline|ABANOQUIL [INN]|2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinolin-4-amine|2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl) -6,7-dimethoxyquinolin-4-ylamine|2-(6,7-DIMETHOXY-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL)-6,7-DIMETHOXY-QUINOLIN-4-AMINE|2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxy-quinolin-4-ylamine|4-Amin-2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolyl)-6,7-dimethoxyquinoline
Storage
Room temperature
★
サイズ
USA
ドイツ (EU)*
価格
個数
1mg
A668104-1mg
受注生産 · 8～12週間

$571.90

$857.90
保存 $286.00 (33.34%)
5mg
A668104-5mg
受注生産 · 8～12週間

$1,999.90

$2,999.90
保存 $1,000.00 (33.33%)
Enter a quantity for the sizes you want to add.
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SDS
Safety data
COA
Certificate
DS
データシート
SP
仕様書
仕様 製品の性質 名前と識別子 詳細データ Taxonomic Classification 3 D構造 関連ターゲット（人間） 作用メカニズム 証明書（CoA、COO、BSE/TSEと分析図） 化学的性質と物理的性質 ソリューション計算機 レビュー

仕様

同義語
Abanoquil | 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1h)-yl)-6,7-dimethoxyquinolin-4-amine | UK 52046 | Abanoquil [INN:BAN] | 4-Amino-2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolyl)-6,7-dimethoxyquinoline | ABANOQUIL [INN] | 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinolin-4-amine | 2-(6,7-dimethoxy-3,4-dihydro-1H- もっと見る
保管条件
Room temperature
アクションタイプ
ANTAGONIST
製品の性質
ALogP
3.4
名前と識別子
カノニカル・スマイル
COC1=C(C=C2CN(CCC2=C1)C3=NC4=CC(=C(C=C4C(=C3)N)OC)OC)OC
IUPAC Name
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinolin-4-amine
InChIKey
ANZIISNSHPKVRV-UHFFFAOYSA-N
INCHI
1S/C22H25N3O4/c1-26-18-7-13-5-6-25(12-14(13)8-19(18)27-2)22-10-16(23)15-9-20(28-3)21(29-4)11-17(15)24-22/h7-11H,5-6,12H2,1-4H3,(H2,23,24)
異性体SMILES
COC1=C(C=C2CN(CCC2=C1)C3=NC4=CC(=C(C=C4C(=C3)N)OC)OC)OC
PubChem CID
164089
分子量
395.5

詳細データ

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
分類Benzene and substituted derivatives
SubclassBenzylamines
Intermediate Tree Nodes Not available
Direct Parent2-benzylaminopyridines
Alternative Parents 4-aminoquinolines  Tetrahydroisoquinolines  Dialkylarylamines  Anisoles  Aminopyridines and derivatives  Alkyl aryl ethers  Imidolactams  Heteroaromatic compounds  Azacyclic compounds  Primary amines  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 2-benzylaminopyridine - Aminoquinoline - 4-aminoquinoline - Quinoline - Tetrahydroisoquinoline - Anisole - Dialkylarylamine - Alkyl aryl ether - Aminopyridine - Pyridine - Imidolactam - Heteroaromatic compound - Ether - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Primary amine - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
説明This compound belongs to the class of organic compounds known as 2-benzylaminopyridines. These are aromatic compounds containing pyridine ring substituted at the 2-position by a benzylamine group.
External Descriptors Not available
3 D構造
インタラクティブ化学構造モデル





関連ターゲット（人間）
ADRA1B Tclin Alpha-1B adrenergic receptor (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ADRA1D Tclin Alpha-1D adrenergic receptor (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ADRA1A Tclin Alpha-1A adrenergic receptor (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ADRA1D Tclin Alpha-1d adrenergic receptor (4171 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRA1B Tclin Alpha-1b adrenergic receptor (2912 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
作用メカニズム
証明書（CoA、COO、BSE/TSEと分析図）
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
化学的性質と物理的性質
分子量395.500 g/mol
XLogP33.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass395.185 Da
Monoisotopic Mass395.185 Da
Topological Polar Surface Area79.100 Ų
Heavy Atom Count29
Formal Charge0
Complexity538.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
ソリューション計算機
レビュー

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