1,4-DPCA - ≥98% , CAS No.331830-20-7

CAS: 331830-20-7 Cat. No.: D340140 분자식: C₁₃H₈N₂O₃ 분자량: 240.21

GRADE & PURITY ≥98%

Synonyms

EC-000.2078 | SCHEMBL13225925 | 1,4-dihydrophenonthrolin-4-one-3-Carboxylic acid | 3-Acetyl-1H-[1,10]phenanthrolin-4-one | J-019071 | HMS3649E16 | SR-01000946603-1 | PD127748 | inverted exclamation mark-dihydro-4-oxo-1,10-phenanthroline-3-carboxylic acid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

1,4 DPCA is a selective and potent inhibitor of prolyl 4-hydroxylation (P4H)|in vitro|. It has been shown to Inhibit α-prolyl 4-hydroxylase, an oxygen-sensing enzyme that targets the pro-angiogenic factor HIF-1α for destruction upon hydroxylation of a specific proline residue. 1,4-DPCA has also been shown to inhibit asparaginyl-hydroxylase factor inhibiting HIF (FIH) and to be useful for controlling excess collagen deposition in pathological fibrosis.

Specifications

동의어

EC-000.2078 | SCHEMBL13225925 | 1,4-dihydrophenonthrolin-4-one-3-Carboxylic acid | 3-Acetyl-1H-[1,10]phenanthrolin-4-one | J-019071 | HMS3649E16 | SR-01000946603-1 | PD127748 | inverted exclamation mark-dihydro-4-oxo-1,10-phenanthroline-3-carboxylic acid

사양 및 순도

≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

순수함

≥98%

이름과 식별자

• Pubchem Sid: 528753796
• 정식 스마일: C1=CC2=C(C3=C(C=C2)C(=O)C(=CN3)C(=O)O)N=C1
• IUPAC Name: 4-oxo-1H-1,10-phenanthroline-3-carboxylic acid
• InChIKey: XZZHOJONZJQARN-UHFFFAOYSA-N
• INCHI: 1S/C13H8N2O3/c16-12-8-4-3-7-2-1-5-14-10(7)11(8)15-6-9(12)13(17)18/h1-6H,(H,15,16)(H,17,18)
• 이성체 SMILES: C1=CC2=C(C3=C(C=C2)C(=O)C(=CN3)C(=O)O)N=C1
• 분자량: 240.21
• Reaxy-Rn: 210131
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=210131&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Phenanthrolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Phenanthrolines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenanthrolines
• Alternative Parents: Quinoline carboxylic acids Hydroquinolones Hydroquinolines Pyridinecarboxylic acids Benzenoids Vinylogous amides Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,10-phenanthroline - Quinoline-3-carboxylic acid - Dihydroquinolone - Dihydroquinoline - Quinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenanthrolines. These are aromatic polycyclic compounds containing the phenanthroline skeleton, which is a derivative of phenanthrene, and consists of two pyridine rings non-linearly joined by a benzene ring.
• 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(비인간)

Mycobacterium tuberculosis (203094 Activities)

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in: DMSO (2.5 mg/mL, warm); ethanol (5 mg/mL, warm); DMF (5 mg/mL)
• 끓는점(°C): ~474.5° C at 760 mmHg (Predicted)
• 녹는점(°C): 189.27° C (Predicted)
• 분자량: 240.210 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 240.053 Da
• Monoisotopic Mass: 240.053 Da
• Topological Polar Surface Area: 79.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 418.000
• 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