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Abanoquil , CAS No.90402-40-7

CAS: 90402-40-7 Cat. No.: A668104 분자식: C22H25N3O4 분자량: 395.5 PubChem CID: 164089
COA
Abanoquil - CAS No(90402-40-7) by Aladdin Scientific
주문 가능
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
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크기
USA
독일 (EU)*
가격
수량
1mg
A668104-1mg
주문제작 · 8~12주

US$571.90

US$857.90
저장 US$286.00 (33.34%)
5mg
A668104-5mg
주문제작 · 8~12주

US$1,999.90

US$2,999.90
저장 US$1,000.00 (33.33%)
Enter a quantity for the sizes you want to add.
벌크 / 맞춤
♡ 위시 리스트 ⇅ 비교하기에 추가 ⎙ 페이지 인쇄
SDS
Safety data
COA
Certificate
DS
데이터시트
SP
사양서
사양 제품 특성 이름과 식별자 고급 데이터 Taxonomic Classification 3D 구조 관련 대상(인간) 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 솔루션 계산기 리뷰

사양

동의어
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- Show more
보관 조건
Room temperature
작업 유형
ANTAGONIST
제품 특성
ALogP
3.4
이름과 식별자
정식 스마일
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)
이성체 SMILES
COC1=C(C=C2CN(CCC2=C1)C3=NC4=CC(=C(C=C4C(=C3)N)OC)OC)OC
PubChem CID
164089
분자량
395.5

고급 데이터

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
분류Benzene 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
설명This 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
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
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
작용 메커니즘
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
화학 및 물리적 특성
분자량395.500 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
솔루션 계산기
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