AMG-8718 - Moligand™ , Inhibitor of beta-secretase 1, CAS No.A607608, Inhibitor of beta-secretase 1

CAS: A607608 Cat. No.: A607608 PubChem CID: 45254510
주문 가능
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
Storage
Room temperature
★
Size
USA
독일 (EU)*
Price
Qty
5mg
A607608-5mg
주문제작 · 8~12주
US$1,297.90
25mg
A607608-25mg
주문제작 · 8~12주

US$1,714.90

US$2,321.90
저장 US$607.00 (26.14%)
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

사양 및 순도
Moligand™
보관 조건
Room temperature
등급
Moligand™
작업 유형
INHIBITOR
작동 메커니즘
Inhibitor of beta-secretase 1
이름과 식별자
정식 스마일NC1=N[C@]2(CO1)c1cc(C#CC3(C)COC3)cnc1Oc1c2cc(cc1)c1cccnc1F
InChIKeyGKKFBOARESVMBW-VWLOTQADSA-N
INCHI1S/C25H19FN4O3/c1-24(12-31-13-24)7-6-15-9-19-22(29-11-15)33-20-5-4-16(17-3-2-8-28-21(17)26)10-18(20)25(19)14-32-23(27)30-25/h2-5,8-11H,12-14H2,1H3,(H2,27,30)/t25-/m0/s1
이성체 SMILES CC1(COC1)C#CC2=CC3=C(N=C2)OC4=C([C@@]35COC(=N5)N)C=C(C=C4)C6=C(N=CC=C6)F
PubChem CID 45254510

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
분류Benzopyrans
Subclass1-benzopyrans
Intermediate Tree Nodes Chromenopyridines
Direct ParentChromeno[2,3-b]pyridines
Alternative Parents Diarylethers  Pyranopyridines  2-halopyridines  Aryl fluorides  Benzenoids  Oxazolines  Heteroaromatic compounds  Oxetanes  Isoureas  Oxacyclic compounds  Dialkyl ethers  Carboximidamides  Propargyl-type 1,3-dipolar organic compounds  Azacyclic compounds  Hydrocarbon derivatives  Amines  Organofluorides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Chromeno[2,3-b]pyridine - Diaryl ether - Pyranopyridine - 2-halopyridine - Aryl fluoride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Oxazoline - Isourea - Oxetane - Organic 1,3-dipolar compound - Azacycle - Oxacycle - Ether - Dialkyl ether - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
설명This compound belongs to the class of organic compounds known as chromeno[2,3-b]pyridines. These are aromatic heteropolycyclic compounds containing pyridine linearly fused to the pyran moiety of a benzofuran ring system.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
BACE1 Tchem Beta-secretase 1 (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
BACE2 Tchem Beta-secretase 2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CTSD Tchem Cathepsin D (3201 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BACE2 Tchem Beta secretase 2 (1716 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
REN Tclin Renin (5251 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CTSE Tchem Cathepsin E (189 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BACE1 Tchem Beta-secretase 1 (15641 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
관련 대상(비인간)
Canis familiaris (36305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LLC-PK1 (2135 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cynomolgus monkey (4946 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasma (328 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
분자량442.400 g/mol
XLogP32.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass442.144 Da
Monoisotopic Mass442.144 Da
Topological Polar Surface Area91.900 Ų
Heavy Atom Count33
Formal Charge0
Complexity866.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
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