Desidustat - Moligand™, 10mM in DMSO , Inhibitor of egl-9 family hypoxia inducible factor 2, CAS No.1616690-16-4, Inhibitor of egl-9 family hypoxia inducible factor 2

CAS: 1616690-16-4 Cat. No.: D421953 분자식: C₁₆H₁₆N₂O₆ 분자량: 332.31

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

s9699 | DTXSID901337362 | (1-(Cyclopropylmethoxy)-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonyl)glycine | A16921 | Oxemia | 1616690-16-4 | BCP29692 | D80699 | AC-36284 | HY-70057 | Glycine, N-((1-(cyclopropylmethoxy)-1,2-dihydro-4-hydroxy-2-oxo-3-quinol

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

Information

Desidustat Desidustat (ZYAN1, ZYAN1-1001), an antianaemic drug candidate, is an orally active hypoxia-inducible factor (HIF) prolyl hydroxylase (PHD) inhibitor (HIF-PHI) that stimulates erythropoiesis.

Targets

PHD

In vivo

In BALB/c mice, a single dose treatment of desidustat attenuates the effect of lipopolysaccharide (LPS) - or turpentine oil-induced inflammation and increased serum erythropoietin (EPO), iron, and reticulocyte count, and decreases serum hepcidin levels. In turpentine oil-induced anemia in BALB/c mice, repeated dose desidustat treatment increases hemoglobin, RBC and hematocrit in a dose related manner. In female Lewis rats, treatment with desidustat markedly reduces PGPS-induced anemia and increases hemoglobin, red blood cell (RBC) and white blood cell (WBC) count, hematocrit, serum iron and spleen iron.

Specifications

동의어

s9699 | DTXSID901337362 | (1-(Cyclopropylmethoxy)-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonyl)glycine | A16921 | Oxemia | 1616690-16-4 | BCP29692 | D80699 | AC-36284 | HY-70057 | Glycine, N-((1-(cyclopropylmethoxy)-1,2-dihydro-4-hydroxy-2-oxo-3-quinol

사양 및 순도

Moligand™, 10mM in DMSO

생화학 및 생리적 메커니즘

Desidustat (ZYAN1, ZYAN1-1001), an antianaemic drug candidate, is an orally active hypoxia-inducible factor (HIF) prolyl hydroxylase (PHD) inhibitor (HIF-PHI) that stimulates erythropoiesis.

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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등급

Moligand™

작업 유형

INHIBITOR

작동 메커니즘

Inhibitor of egl-9 family hypoxia inducible factor 2

이름과 식별자

• Pubchem Sid: 528764280
• 정식 스마일: C1CC1CON2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O
• IUPAC Name: 2-[[1-(cyclopropylmethoxy)-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid
• InChIKey: IKRKQQLJYBAPQT-UHFFFAOYSA-N
• INCHI: 1S/C16H16N2O6/c19-12(20)7-17-15(22)13-14(21)10-3-1-2-4-11(10)18(16(13)23)24-8-9-5-6-9/h1-4,9,21H,5-8H2,(H,17,22)(H,19,20)
• 이성체 SMILES: C1CC1CON2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O
• 분자량: 332.31
• Reaxy-Rn: 32134306
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32134306&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 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
• 분류: 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: Quinoline-3-carboxamides Hydroxyquinolines Hydroquinolones Hydroquinolines Pyridinecarboxylic acids and derivatives Pyridinones Hydroxypyridines Benzenoids Vinylogous amides Vinylogous acids Heteroaromatic compounds Secondary carboxylic acid amides Lactams Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline-3-carboxamide - N-acyl-alpha-amino acid - Hydroxyquinoline - Dihydroquinolone - Quinoline - Dihydroquinoline - Pyridine carboxylic acid or derivatives - Hydroxypyridine - Pyridinone - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous amide - Vinylogous acid - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
• 설명: 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

관련 대상(인간)

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)

화학 및 물리적 특성

• 감도: Moisture sensitive.
• 분자량: 332.310 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 332.101 Da
• Monoisotopic Mass: 332.101 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 583.000
• 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