Torcitabine - ≥99% , CAS No.40093-94-5

CAS: 40093-94-5 Cat. No.: T649342 分子式: C₉H₁₃N₃O₄ 分子量: 227.22

GRADE & PURITY ≥99%

Synonyms

HY-W020729 | 1-(2-Deoxypentofuranosyl)-4-imino-1,4-dihydropyrimidin-2-ol | .beta.-L-2'dCyd | 2(1H)-Pyrimidinone, 4-amino-1-(2-deoxy-beta-L-erythro-pentofuranosyl)- | DTXSID30960542 | SCHEMBL639556 | LdC | L-dC | TORCITABINE [INN] | 4-amino-1-((2S,4R,5S)-4

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Torcitabine (2'-Deoxy-L-cytidine) is an antiviral agent. Torcitabine has the potential for chronic hepatitis B virus infection treatment.

In Vitro

Torcitabine (2'-Deoxy-L-cytidine) shows greater inhibition of first strand than second strand DNA synthesis. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

同義語

HY-W020729 | 1-(2-Deoxypentofuranosyl)-4-imino-1,4-dihydropyrimidin-2-ol | .beta.-L-2'dCyd | 2(1H)-Pyrimidinone, 4-amino-1-(2-deoxy-beta-L-erythro-pentofuranosyl)- | DTXSID30960542 | SCHEMBL639556 | LdC | L-dC | TORCITABINE [INN] | 4-amino-1-((2S,4R,5S)-4

仕様と純度

≥99%

生化学的・生理学的メカニズム

Torcitabine (2'-Deoxy-L-cytidine) is an antiviral agent. Torcitabine has the potential for chronic hepatitis B virus infection treatment.

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。

純度

≥99%

名前と識別子

• カノニカル・スマイル: C1C(C(OC1N2C=CC(=NC2=O)N)CO)O
• IUPAC Name: 4-amino-1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
• InChIKey: CKTSBUTUHBMZGZ-CHKWXVPMSA-N
• INCHI: 1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m1/s1
• 異性体SMILES: C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)CO)O
• 代替CAS番号: 40093-94-5
• MeSH用語: 1-(2-deoxy-beta-L-erythropentafuranosyl)-5-methyl-2,4(1H)-pyrimidinone;Torcitabine
• 分子量: 227.22
• Reaxy-Rn: 14609546
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14609546&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • 分類 Pyrimidine nucleosides
      • Subclass Pyrimidine 2'-deoxyribonucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• 分類: Pyrimidine nucleosides
• Subclass: Pyrimidine 2'-deoxyribonucleosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidine 2'-deoxyribonucleosides
• Alternative Parents: Pyrimidones Aminopyrimidines and derivatives Imidolactams Hydropyrimidines Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Primary amines Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine 2'-deoxyribonucleoside - Aminopyrimidine - Pyrimidone - Hydropyrimidine - Pyrimidine - Imidolactam - Heteroaromatic compound - Tetrahydrofuran - Secondary alcohol - Azacycle - Oxacycle - Organoheterocyclic compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleosides. These are compounds consisting of a pyrimidine linked to a ribose which lacks a hydroxyl group at position 2.
• External Descriptors: pyrimidine 2'-deoxyribonucleoside

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）

TK1 Tchem Thymidine kinase, cytosolic (627 Activities)

Discover Target: TK1

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

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: H2O : 250 mg/mL (1100.26 mM; Need ultrasonic) DMSO : 250 mg/mL (1100.26 mM; Need ultrasonic)
• 分子量: 227.220 g/mol
• XLogP3: -1.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 227.091 Da
• Monoisotopic Mass: 227.091 Da
• Topological Polar Surface Area: 108.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 355.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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

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 40093-94-5, the molecular formula is C9H13N3O4, and the molecular weight is 227.22 g/mol. InChIKey CKTSBUTUHBMZGZ-CHKWXVPMSA-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.