KFM19 - ≥99% , CAS No.133058-72-7

CAS: 133058-72-7 Cat. No.: K648903 分子式: C₁₆H₂₂N₄O₃ 分子量: 318.37 PubChem CID: 131584

GRADE & PURITY ≥99%

Synonyms

Biip 20 | HY-U00251 | 1,3-dipropyl-8-(1-oxo-3-cyclopentyl)xanthine | AKOS040741912 | Kfm 19 | RUHGOZFOVBMWOO-UHFFFAOYSA-N | L001424 | DTXSID20870000 | 8-(3-oxocyclopentyl)-1,3-dipropyl-7H-purine-2,6-dione | MS-24700 | KFM19 | Kfm-19 | BIIP-20 | 1,3-Diprop

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

KFM19 is a potent, selective Adenosine receptor ( A1-receptor ) antagonist, with an IC 50 of 50 nM.

Form:Solid

IC50& Target:IC50: 50 nM (Adenosine receptor)

Specifications

同義語

Biip 20 | HY-U00251 | 1,3-dipropyl-8-(1-oxo-3-cyclopentyl)xanthine | AKOS040741912 | Kfm 19 | RUHGOZFOVBMWOO-UHFFFAOYSA-N | L001424 | DTXSID20870000 | 8-(3-oxocyclopentyl)-1,3-dipropyl-7H-purine-2,6-dione | MS-24700 | KFM19 | Kfm-19 | BIIP-20 | 1,3-Diprop

仕様と純度

≥99%

生化学的・生理学的メカニズム

KFM19 is a potent, selective Adenosine receptor ( A1-receptor ) antagonist, with an IC 50 of 50 nM.

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。

アクションタイプ

ANTAGONIST

純度

≥99%

名前と識別子

• カノニカル・スマイル: CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3CCC(=O)C3
• IUPAC Name: 8-(3-oxocyclopentyl)-1,3-dipropyl-7H-purine-2,6-dione
• InChIKey: RUHGOZFOVBMWOO-UHFFFAOYSA-N
• INCHI: 1S/C16H22N4O3/c1-3-7-19-14-12(15(22)20(8-4-2)16(19)23)17-13(18-14)10-5-6-11(21)9-10/h10H,3-9H2,1-2H3,(H,17,18)
• 異性体SMILES: CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3CCC(=O)C3
• 代替CAS番号: 133058-72-7
• PubChem CID: 131584
• MeSH用語: ((S)-(-)-8-(3-oxocyclopentyl)-1,3-dipropyl-7H-purine-2,6-dione);1H-Purine-2,6-dione, 3,7-dihydro-8-(3-oxocyclopentyl)-1,3-dipropyl-;BIIP 20;BIIP-20;KFM 19;KFM-19
• 分子量: 318.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Xanthines
• Alternative Parents: 6-oxopurines Alkaloids and derivatives Pyrimidones Vinylogous amides Imidazoles Heteroaromatic compounds Ureas Lactams Cyclic ketones Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Ketone - Lactam - Urea - Cyclic ketone - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
• 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）

ADORA1 Tclin Adenosine receptor A1 (1 Activities)

Discover Target: ADORA1

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

ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

Discover Target: ADORA1

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）

Mus musculus (284745 Activities)

Explore this target

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

Rattus norvegicus (775804 Activities)

Explore this target

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

Adora2b Adenosine A2 receptor (1828 Activities)

Discover Target: Adora2b

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

• 分子量: 318.370 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 318.169 Da
• Monoisotopic Mass: 318.169 Da
• Topological Polar Surface Area: 86.400 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 510.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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 the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 133058-72-7, the molecular formula is C16H22N4O3, and the molecular weight is 318.37 g/mol. InChIKey RUHGOZFOVBMWOO-UHFFFAOYSA-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.