mavoglurant - Moligand™ , Metabotropic glutamate receptor 5 antagonist, CAS No.543906-09-8, Metabotropic glutamate receptor 5 antagonist

CAS: 543906-09-8 Cat. No.: M611748 분자식: C19H23NO3 분자량: 313.39 PubChem CID: 9926832
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.
Synonyms
Chromium Oxide Dispersion | F85489 | 1H-INDOLE-1-CARBOXYLIC ACID, OCTAHYDRO-4-HYDROXY-4-((3-METHYLPHENYL)ETHYNYL)-, METHYL ESTER, (3AR,4S,7AR)- | Methyl (3aR,4S,7aR)-4-hydroxy-4-[2-(3-methylphenyl)ethynyl]octahydro-1H-indole-1-carboxylate | CHEBI:177415 |
Storage
Room temperature
★
Size
USA
독일 (EU)*
Price
Qty
5mg
M611748-5mg
주문제작 · 8~12주

US$999.90

US$1,300.90
저장 US$301.00 (23.14%)
25mg
M611748-25mg
주문제작 · 8~12주

US$1,714.90

US$2,000.90
저장 US$286.00 (14.29%)
Enter a quantity for the sizes you want to add.
🧪
Why this grade

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

🌡

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

동의어
Chromium Oxide Dispersion | F85489 | 1H-INDOLE-1-CARBOXYLIC ACID, OCTAHYDRO-4-HYDROXY-4-((3-METHYLPHENYL)ETHYNYL)-, METHYL ESTER, (3AR,4S,7AR)- | Methyl (3aR,4S,7aR)-4-hydroxy-4-[2-(3-methylphenyl)ethynyl]octahydro-1H-indole-1-carboxylate | CHEBI:177415 |
사양 및 순도
Moligand™
보관 조건
Room temperature
등급
Moligand™
작업 유형
ANTAGONIST
작동 메커니즘
Metabotropic glutamate receptor 5 antagonist
제품 특성
ALogP
2.9
이름과 식별자
정식 스마일
CC1=CC(=CC=C1)C#CC2(CCCC3C2CCN3C(=O)OC)O
IUPAC Name
methyl (3aR,4S,7aR)-4-hydroxy-4-[2-(3-methylphenyl)ethynyl]-3,3a,5,6,7,7a-hexahydro-2H-indole-1-carboxylate
InChIKey
ZFPZEYHRWGMJCV-ZHALLVOQSA-N
INCHI
1S/C19H23NO3/c1-14-5-3-6-15(13-14)8-11-19(22)10-4-7-17-16(19)9-12-20(17)18(21)23-2/h3,5-6,13,16-17,22H,4,7,9-10,12H2,1-2H3/t16-,17-,19-/m1/s1
이성체 SMILES
CC1=CC(=CC=C1)C#C[C@@]2(CCC[C@@H]3[C@H]2CCN3C(=O)OC)O
PubChem CID
9926832
분자량
313.39

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
분류Indoles and derivatives
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentIndoles and derivatives
Alternative Parents Pyrrolidine carboxylic acids  Toluenes  Ynones  Tertiary alcohols  Methylcarbamates  Organic carbonic acids and derivatives  Cyclic alcohols and derivatives  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Indole or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Toluene - Monocyclic benzene moiety - Benzenoid - Ynone - Methylcarbamate - Cyclic alcohol - Pyrrolidine - Carbamic acid ester - Tertiary alcohol - Carbonic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Alcohol - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound
설명This compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
GRM5 Tchem Metabotropic glutamate receptor 5 (4 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
GRM5 Tchem Metabotropic glutamate receptor 5 (5733 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
관련 대상(비인간)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Liver microsome (341 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
분자량313.400 g/mol
XLogP32.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass313.168 Da
Monoisotopic Mass313.168 Da
Topological Polar Surface Area49.800 Ų
Heavy Atom Count23
Formal Charge0
Complexity519.000
Isotope Atom Count0
Defined Atom Stereocenter Count3
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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리뷰

고객 리뷰

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