Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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AZ044 , CAS No.1800017-49-5
注文可能
Storage
Room temperature
Why this grade
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
保管条件
Room temperature
アクションタイプ
INHIBITOR
名前と識別子
| カノニカル・スマイル | OC(=O)[C@H]1CC[C@H](CNC2=NC3=C(S2)C=C(C=C3)C2=CC(=O)N(CC3CC3)C=C2)CC1 |
|---|---|
| IUPAC Name | 4-[[[6-[1-(cyclopropylmethyl)-2-oxopyridin-4-yl]-1,3-benzothiazol-2-yl]amino]methyl]cyclohexane-1-carboxylic acid |
| InChIKey | LCUPEZBPGVQFLN-UHFFFAOYSA-N |
| INCHI | 1S/C24H27N3O3S/c28-22-12-19(9-10-27(22)14-16-1-2-16)18-7-8-20-21(11-18)31-24(26-20)25-13-15-3-5-17(6-4-15)23(29)30/h7-12,15-17H,1-6,13-14H2,(H,25,26)(H,29,30) |
| 異性体SMILES | C1CC(CCC1CNC2=NC3=C(S2)C=C(C=C3)C4=CC(=O)N(C=C4)CC5CC5)C(=O)O |
| PubChem CID | 122184544 |
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
- 分類 Pyridines and derivatives
- Subclass Phenylpyridines
- 分類 Pyridines and derivatives
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| 分類 | Pyridines and derivatives |
| Subclass | Phenylpyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyridines |
| Alternative Parents | Benzothiazoles Secondary alkylarylamines Pyridinones Dihydropyridines Benzenoids 2-amino-1,3-thiazoles Heteroaromatic compounds Lactams Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 4-phenylpyridine - 1,3-benzothiazole - Secondary aliphatic/aromatic amine - Pyridinone - Dihydropyridine - 1,3-thiazol-2-amine - Benzenoid - Hydropyridine - Heteroaromatic compound - Thiazole - Azole - Amino acid - Lactam - Amino acid or derivatives - Azacycle - Secondary amine - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond. |
| 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）
PIK3CD Tclin PI3-kinase p110-delta subunit (6699 Activities)
PIK3CG Tclin PI3-kinase p110-gamma subunit (5411 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
PI4KA Tchem PI4-kinase alpha subunit (184 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
PI4KB Tchem PI4-kinase beta subunit (1593 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
PIK3CB Tchem PI3-kinase p110-beta subunit (4044 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
関連ターゲット（非人間）
PIK3CA PI3-kinase p110-alpha subunit (51 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
作用メカニズム
証明書（CoA、COO、BSE/TSEと分析図）
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
化学的性質と物理的性質
| 分子量 | 437.600 g/mol |
|---|---|
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 437.177 Da |
| Monoisotopic Mass | 437.177 Da |
| Topological Polar Surface Area | 111.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 757.000 |
| 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 |
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