Vadadustat - Moligand™, ≥97% , Hypoxia-inducible factor prolyl hydroxylase 1 inhibitor, CAS No.1000025-07-9, Hypoxia-inducible factor prolyl hydroxylase 1 inhibitor

CAS: 1000025-07-9 Cat. No.: V171541 分子式: C₁₄H₁₁ClN₂O₄ 分子量: 306.701 EC番号: 815-079-4

GRADE & PURITY Moligand™, ≥97%

Synonyms

N-[5-(3-chlorophenyl)-3-hydroxypyridine-2-carbonyl]glycine | AG-617/02036022 | 4,4'-Methylenebis[phenyl isocyanate] | Vadadustat | BCP19497 | Glycine, N-[[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]carbonyl]- | US8722895, 10: {[5-(3-Chlorophenyl)-3-hydroxyp

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

同義語

N-[5-(3-chlorophenyl)-3-hydroxypyridine-2-carbonyl]glycine | AG-617/02036022 | 4,4'-Methylenebis[phenyl isocyanate] | Vadadustat | BCP19497 | Glycine, N-[[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]carbonyl]- | US8722895, 10: {[5-(3-Chlorophenyl)-3-hydroxyp

仕様と純度

Moligand™, ≥97%

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

INHIBITOR

作用メカニズム

Hypoxia-inducible factor prolyl hydroxylase 1 inhibitor

純度

≥97%

製品の性質

• ALogP: 2.5

名前と識別子

• パブケム・シド: 504769444
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504769444
• カノニカル・スマイル: C1=CC(=CC(=C1)Cl)C2=CC(=C(N=C2)C(=O)NCC(=O)O)O
• IUPAC Name: 2-[[5-(3-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid
• InChIKey: JGRXMPYUTJLTKT-UHFFFAOYSA-N
• INCHI: 1S/C14H11ClN2O4/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20)
• 異性体SMILES: C1=CC(=CC(=C1)Cl)C2=CC(=C(N=C2)C(=O)NCC(=O)O)O
• 分子量: 306.701

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 N-acyl-alpha amino acids and derivatives
              • Level8 N-acyl-alpha amino acids

• 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 - N-acyl-alpha amino acids and derivatives
• Direct Parent: N-acyl-alpha amino acids
• Alternative Parents: Phenylpyridines Pyridinecarboxylic acids and derivatives 2-heteroaryl carboxamides Chlorobenzenes Hydroxypyridines Aryl chlorides Vinylogous acids Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organochlorides Carbonyl compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-acyl-alpha-amino acid - 3-phenylpyridine - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Chlorobenzene - Halobenzene - Hydroxypyridine - Benzenoid - Pyridine - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Vinylogous acid - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
• 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）

EGLN1 Tclin Egl nine homolog 1 (4 Activities)

Discover Target: EGLN1

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

EGLN3 Tclin Egl nine homolog 3 (2 Activities)

Discover Target: EGLN3

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

EGLN2 Tclin Egl nine homolog 2 (0 Activities)

Discover Target: EGLN2

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

VEGFA Tclin Vascular endothelial growth factor A (159 Activities)

Discover Target: VEGFA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Homo sapiens (32628 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EGLN1 Tclin Egl nine homolog 1 (1702 Activities)

Discover Target: EGLN1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EGLN3 Tclin Egl nine homolog 3 (250 Activities)

Discover Target: EGLN3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HIF1AN Tbio Hypoxia-inducible factor 1-alpha inhibitor (79 Activities)

Discover Target: HIF1AN

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）

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Danio rerio (3092 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SARS-CoV-2 (38078 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

A085R Prolyl 4-hydroxylase (72 Activities)

Discover Target: A085R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 溶解度: insoluble in H2O; ≥57.7 mg/mL in DMSO; ≥9.66 mg/mL in EtOH
• 分子量: 306.700 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 306.041 Da
• Monoisotopic Mass: 306.041 Da
• Topological Polar Surface Area: 99.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 393.000
• 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