chiglitazar - Moligand™ , Peroxisome proliferator-activated receptor agonist, CAS No.743438-45-1, Peroxisome proliferator-activated receptor agonist

CAS: 743438-45-1 Cat. No.: C608526 分子式: C₃₆H₂₉FN₂O₄ 分子量: 572.6 PubChem CID: 71402018

GRADE & PURITY Moligand™

Synonyms

GLXC-26864 | Bilessglu | SCHEMBL22607975 | chiglitazar | CS038 | HY-106266 | (2S)-3-[4-(2-carbazol-9-ylethoxy)phenyl]-2-[2-(4-fluorobenzoyl)anilino]propanoic acid | L-Tyrosine, O-[2-(9H-carbazol-9-yl)ethyl]-N-[2-(4-fluorobenzoyl)phenyl]- | 3-[4-(2-carbazo

Storage

Room temperature

Specifications

同義語

GLXC-26864 | Bilessglu | SCHEMBL22607975 | chiglitazar | CS038 | HY-106266 | (2S)-3-[4-(2-carbazol-9-ylethoxy)phenyl]-2-[2-(4-fluorobenzoyl)anilino]propanoic acid | L-Tyrosine, O-[2-(9H-carbazol-9-yl)ethyl]-N-[2-(4-fluorobenzoyl)phenyl]- | 3-[4-(2-carbazo

仕様と純度

Moligand™

保管条件

Room temperature

等級

Moligand™

アクションタイプ

AGONIST

作用メカニズム

Peroxisome proliferator-activated receptor agonist

製品の性質

• ALogP: 8.5

名前と識別子

• カノニカル・スマイル: C1=CC=C2C(=C1)C3=CC=CC=C3N2CCOC4=CC=C(C=C4)CC(C(=O)O)NC5=CC=CC=C5C(=O)C6=CC=C(C=C6)F
• IUPAC Name: (2S)-3-[4-(2-carbazol-9-ylethoxy)phenyl]-2-[2-(4-fluorobenzoyl)anilino]propanoic acid
• InChIKey: QNLWMPLUWMWDMQ-YTTGMZPUSA-N
• INCHI: 1S/C36H29FN2O4/c37-26-17-15-25(16-18-26)35(40)30-9-1-4-10-31(30)38-32(36(41)42)23-24-13-19-27(20-14-24)43-22-21-39-33-11-5-2-7-28(33)29-8-3-6-12-34(29)39/h1-20,32,38H,21-23H2,(H,41,42)/t32-/m0/s1
• 異性体SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3N2CCOC4=CC=C(C=C4)C[C@@H](C(=O)O)NC5=CC=CC=C5C(=O)C6=CC=C(C=C6)F
• 代替CAS番号: 743438-45-1
• PubChem CID: 71402018
• MeSH用語: chiglitazar
• 分子量: 572.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Phenylalanine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Phenylalanine and derivatives
• Alternative Parents: Benzophenones Aryl-phenylketones Carbazoles Diphenylmethanes Phenylpropanoic acids Amphetamines and derivatives L-alpha-amino acids N-alkylindoles Indoles Aniline and substituted anilines Benzoyl derivatives Phenylalkylamines Phenoxy compounds Phenol ethers Fluorobenzenes Alkyl aryl ethers Secondary alkylarylamines Substituted pyrroles Aryl fluorides Heteroaromatic compounds Vinylogous amides Amino acids Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organofluorides Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylalanine or derivatives - Benzophenone - Carbazole - Aryl-phenylketone - Diphenylmethane - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - N-alkylindole - L-alpha-amino acid - Indole - Indole or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Aryl ketone - Aniline or substituted anilines - Phenylalkylamine - Fluorobenzene - Halobenzene - Alkyl aryl ether - Aralkylamine - Secondary aliphatic/aromatic amine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Vinylogous amide - Heteroaromatic compound - Pyrrole - Amino acid - Ketone - Azacycle - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Secondary amine - Amine - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: Not available

Data sources

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

関連ターゲット（人間）

PPARA Tclin Peroxisome proliferator-activated receptor alpha (0 Activities)

Discover Target: PPARA

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PPARG Tclin Peroxisome proliferator-activated receptor gamma (0 Activities)

Discover Target: PPARG

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

化学的性質と物理的性質

• 分子量: 572.600 g/mol
• XLogP3: 8.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 572.211 Da
• Monoisotopic Mass: 572.211 Da
• Topological Polar Surface Area: 80.600 Ų
• Heavy Atom Count: 43
• Formal Charge: 0
• Complexity: 895.000
• 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

よくある質問

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 743438-45-1, the molecular formula is C36H29FN2O4, and the molecular weight is 572.6 g/mol. InChIKey QNLWMPLUWMWDMQ-YTTGMZPUSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.