Name: ML 337 - Moligand™, ≥98%(HPLC) , Allosteric modulator of mGlu 3 receptor, CAS No.1443118-44-2, Allosteric modulator of mGlu 3 receptor
Brand: Aladdin Scientific
SKU: M288840
Availability: InStock

ML 337 - Moligand™, ≥98%(HPLC) , Allosteric modulator of mGlu 3 receptor, CAS No.1443118-44-2, Allosteric modulator of mGlu 3 receptor

CAS: 1443118-44-2 Cat. No.: M288840 分子式: C₂₁H₂₀FNO₃ 分子量: 353.39 PubChem CID: 60204017

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ML 337 - Moligand™, ≥98%(HPLC) CAS No(1443118-44-2) by Aladdin Scientific

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注文可能

グレード＆純度 Moligand™ ? ≥98%(HPLC)

Synonyms

[2-Fluoro-4-[2-(4-methoxyphenyl)ethynyl]phenyl][(3R)-3-hydroxy-1-piperidinyl]methanone|ML337|(R)-(2-fluoro-4-((4-methoxyphenyl)ethynyl)phenyl)(3-hydroxypiperidin-1-yl)methanone

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

仕様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）関連ターゲット（非人間）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

[2-Fluoro-4-[2-(4-methoxyphenyl)ethynyl]phenyl][(3R)-3-hydroxy-1-piperidinyl]methanone | ML337 | (R)-(2-fluoro-4-((4-methoxyphenyl)ethynyl)phenyl)(3-hydroxypiperidin-1-yl)methanone

仕様と純度

Moligand™, ≥98%(HPLC)

生化学的・生理学的メカニズム

Selective negative allosteric modulator of mGlu3(IC50= 593 nM). Displays no activity at mGlu1, mGlu2or mGlu4-8at concentrations up to 30μM. Brain penetrant.

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

ALLOSTERIC MODULATOR

作用メカニズム

Allosteric modulator of mGlu 3 receptor

純度

≥98%(HPLC)

名前と識別子

パブケム・シド

504771809

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504771809

カノニカル・スマイル

COC1=CC=C(C=C1)C#CC2=CC(=C(C=C2)C(=O)N3CCCC(C3)O)F

IUPAC Name

[2-fluoro-4-[2-(4-methoxyphenyl)ethynyl]phenyl]-[(3R)-3-hydroxypiperidin-1-yl]methanone

InChIKey

QBCRLDPMQHPGIM-QGZVFWFLSA-N

INCHI

1S/C21H20FNO3/c1-26-18-9-6-15(7-10-18)4-5-16-8-11-19(20(22)13-16)21(25)23-12-2-3-17(24)14-23/h6-11,13,17,24H,2-3,12,14H2,1H3/t17-/m1/s1

異性体SMILES

COC1=CC=C(C=C1)C#CC2=CC(=C(C=C2)C(=O)N3CCC[C@H](C3)O)F

PubChem CID

60204017

分子量

353.39

詳細データ

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - 分類 Benzene and substituted derivatives
    - Subclass Benzoyl derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
分類	Benzene and substituted derivatives
Subclass	Benzoyl derivatives
Intermediate Tree Nodes	Not available
Direct Parent	1-benzoylpiperidines
Alternative Parents	N-benzoylpiperidines 2-halobenzoic acids and derivatives Benzamides Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Fluorobenzenes Aryl fluorides Vinylogous halides Tertiary carboxylic acid amides Secondary alcohols Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	N-benzoylpiperidine - 1-benzoylpiperidine - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - N-acyl-piperidine - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Piperidine - Tertiary carboxylic acid amide - Vinylogous halide - Carboxamide group - Secondary alcohol - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound
説明	This compound belongs to the class of organic compounds known as 1-benzoylpiperidines. These are compounds containing a piperidine ring substituted at the 1-position with a benzoyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3 D構造

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レビュー

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Lot Number	Certificate Type	日付	商品
C2304659	Certificate of Analysis	Oct 31, 2022	M288840
C2304742	Certificate of Analysis	Oct 31, 2022	M288840
C2304754	Certificate of Analysis	Oct 31, 2022	M288840
C2304759	Certificate of Analysis	Oct 31, 2022	M288840
F2518041	Certificate of Analysis	Oct 31, 2022	M288840

溶解度	Solvent:DMSO, Max Conc. mg/mL: 35.34, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 7.07, Max Conc. mM: 20
分子量	353.400 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	353.143 Da
Monoisotopic Mass	353.143 Da
Topological Polar Surface Area	49.800 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	546.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1