Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
Why this grade
Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Store at -20°C Ships Ice chest + Ice pads 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.
概要
AS2717638 is an oral active and selective lysophosphatidic acid receptor 5 (LPA5) antagonist, with an IC50 of 38 nM for hLPA5. AS2717638 also significantly improves PGE2-, PGF2α-, and AMPA-induced allodynia.
Specifications
仕様と純度
Moligand™, ≥98%
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
ANTAGONIST
作用メカニズム
Antagonist of LPA 5 receptor
純度
≥98%
名前と識別子
| パブケム・シド | 528763144 |
|---|---|
| カノニカル・スマイル | CC1=CC2=C(C=C1)ON=C2N3C=C(C4=CC(=C(C=C4C3=O)OC)OC)C(=O)N5CCCCC5 |
| IUPAC Name | 6,7-dimethoxy-2-(5-methyl-1,2-benzoxazol-3-yl)-4-(piperidine-1-carbonyl)isoquinolin-1-one |
| InChIKey | QRMYHYZQUGJBBX-UHFFFAOYSA-N |
| INCHI | 1S/C25H25N3O5/c1-15-7-8-20-18(11-15)23(26-33-20)28-14-19(24(29)27-9-5-4-6-10-27)16-12-21(31-2)22(32-3)13-17(16)25(28)30/h7-8,11-14H,4-6,9-10H2,1-3H3 |
| PubChem CID | 137333453 |
| MeSH用語 | 6,7-dimethoxy-2-(5-methyl-1,2-benzoxazol-3-yl)-4-(piperidin-1-ylcarbonyl)isoquinolin-1(2H)-one;AS2717638 |
| 分子量 | 447.48 |
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 →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| 分類 | Isoquinolines and derivatives |
| Subclass | Isoquinolones and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoquinolones and derivatives |
| Alternative Parents | Pyridinecarboxylic acids and derivatives N-acylpiperidines Benzisoxazoles Anisoles Pyridinones Alkyl aryl ethers Vinylogous amides Tertiary carboxylic acid amides Isoxazoles Heteroaromatic compounds Lactams Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isoquinolone - Pyridine carboxylic acid or derivatives - N-acyl-piperidine - Benzisoxazole - Anisole - Pyridinone - Alkyl aryl ether - Benzenoid - Pyridine - Piperidine - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Isoxazole - Azole - Lactam - Carboxamide group - Oxacycle - Azacycle - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety. |
| 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）
LPAR5 Tchem Lysophosphatidic acid receptor 5 (1 Activities)
証明書（CoA、COO、BSE/TSEと分析図）
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | 日付 | 商品 |
|---|---|---|---|
 C2429105 | Certificate of Analysis | Mar 01, 2024 | A607757 |
| C2429106 | Certificate of Analysis | Mar 01, 2024 | A607757 |
| C2429107 | Certificate of Analysis | Mar 01, 2024 | A607757 |
| C2429108 | Certificate of Analysis | Mar 01, 2024 | A607757 |
| C2429109 | Certificate of Analysis | Mar 01, 2024 | A607757 |
| C2429110 | Certificate of Analysis | Mar 01, 2024 | A607757 |
| C2429111 | Certificate of Analysis | Mar 01, 2024 | A607757 |
| C2429112 | Certificate of Analysis | Mar 01, 2024 | A607757 |
化学的性質と物理的性質
| 溶解度 | DMSO: 54mg/mL (120.7mM),Need ultrasonic |
|---|---|
| 分子量 | 447.500 g/mol |
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 447.179 Da |
| Monoisotopic Mass | 447.179 Da |
| Topological Polar Surface Area | 85.100 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 782.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 |
ソリューション計算機
レビュー
顧客レビュー
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