Potassium Oxonate - Moligand™, ≥98%(HPLC) , CAS No.2207-75-2

CAS: 2207-75-2 Cat. No.: P137112 분자식: C₄H₂KN₃O₄ 분자량: 195.18 Beilstein Registry Number: 24451 EC 번호: 218-627-5 PubChem CID: 2723920

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

Potassium 4,6-Dihydroxy-1,3,5-triazine-2-carboxylate | Oxonic acid potassium salt | Allantoxanic acid potassium salt | Potassium Allantoxanate

Storage

Room temperature

Shipped In

Normal

개요

Oxonic acid potassium salt is an inhibitor of uricase. The product has been used for the inhibition of 5-fluorouracil-induced gastrointestinal toxicity without the loss of its antitumor activity in rats.It has also been used to induce hyperuricemia in rats; as it inhibits uric acid metabolism.

Specifications

동의어

Potassium 4,6-Dihydroxy-1,3,5-triazine-2-carboxylate | Oxonic acid potassium salt | Allantoxanic acid potassium salt | Potassium Allantoxanate

사양 및 순도

Moligand™, ≥98%(HPLC)

생화학 및 생리적 메커니즘

Uricase inhibitor. Used to induce hyperuricemia in rats as it inhibits uric acid metabolism. Inhibits 5-fluorouracil-induced gastrointestinal toxicity without the loss of its antitumor activity in rats.

보관 조건

Room temperature

배송

Normal

등급

Moligand™

참고

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

순수함

≥98%(HPLC)

이름과 식별자

Pubchem Sid

488192221

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192221

정식 스마일

C1(=NC(=O)NC(=O)N1)C(=O)[O-].[K+]

IUPAC Name

potassium;4,6-dioxo-1H-1,3,5-triazine-2-carboxylate

InChIKey

IAPCTXZQXAVYNG-UHFFFAOYSA-M

INCHI

1S/C4H3N3O4.K/c8-2(9)1-5-3(10)7-4(11)6-1;/h(H,8,9)(H2,5,6,7,10,11);/q;+1/p-1

이성체 SMILES

C1(=NC(=O)NC(=O)N1)C(=O)[O-].[K+]

WGK 독일

3

RTECS

RR4580000

PubChem CID

2723920

분자량

195.18

Beilstein

24451

Reaxy-Rn

4049961

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Triazines
      • Subclass Triazinones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Triazines
• Subclass: Triazinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Triazinones
• Alternative Parents: 1,3,5-triazines Heteroaromatic compounds Ureas Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic potassium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Triazinone - 1,3,5-triazine - Heteroaromatic compound - Carboxylic acid salt - Urea - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic alkali metal salt - Organic nitrogen compound - Organic salt - Organic potassium salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as triazinones. These are compounds containing a triazine ring which bears a ketone group a carbon atom.
• External Descriptors: organic molecular entity

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)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in hot water.
• 녹는점(°C): 300 °C
• 분자량: 195.170 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 194.968 Da
• Monoisotopic Mass: 194.968 Da
• Topological Polar Surface Area: 111.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 273.000
• 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: 2

XLogP3