2′-Deoxicitidina - ≥99% , CAS No.951-77-9

CAS: 951-77-9 Cat. No.: D104773 Fórmula: C₉H₁₃N₃O₄ Peso molecular: 227.22 Beilstein Registry Number: 87567 Número CE: 213-454-1

GRADE & PURITY ≥99%

Synonyms

CYTIDINE, 2'-DEOXY- | Desoxycytidin [German] | MFCD00006547 | Doxecitine | 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one | C00881 | 1-(2-Deoxy-b-D-ribofuranosyl)cytosine | Deoxyribose cytidine | Cytidine, 2'-deox

Storage

Armazenar a -20°C

Shipped In

Arca de gelo + almofadas de gelo

Visão geral

aplicação：

a 2′-Deoxicitidina (desoxiC) é um dos desoxinucleósidos que, após fosforilação em dCTP, é utilizado para sintetizar ADN através de várias ADN polimerases ou transcriptases reversas. a 2′-desoxicitidina (desoxiC) é o substrato da desoxicitidina desaminase (EC 3.5.4.14), que a converte em 2′-desoxiuridina. a 2′-desoxicitidina é fosforilada no nucleótido dCMP pela enzima desoxicitidina quinase (DCK).

descrição do produto：

a 2′-Deoxicitidina (desoxicina) é um dos desoxinucleosídeos que contém citosina como nucleobase. É encontrado no sangue, fezes e urina.

aplicação：

a 2′-Deoxicitidina tem sido utilizada:

como substrato para a citidina desaminase de Trypanosoma brucei (TbCDA) para medir a sua atividade

como padrão no isolamento e quantificação dos níveis de metabolitos no fluido intersticial de tumores murinos por cromatografia líquida-espetrometria de massa (LC-MS)

estudar o papel da autofagia em resposta a oncogenes e ao stress da replicação do ADN

Specifications

Sinónimos

CYTIDINE, 2'-DEOXY- | Desoxycytidin [German] | MFCD00006547 | Doxecitine | 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one | C00881 | 1-(2-Deoxy-b-D-ribofuranosyl)cytosine | Deoxyribose cytidine | Cytidine, 2'-deox

Especificações e pureza

≥99%

Mecanismos bioquímicos e fisiológicos

a 2′-desoxicitidina (desoxiC) forma dCTP após fosforilação, que é utilizada para sintetizar ADN através de várias DNA polimerases ou transcriptases reversas. A desoxicitidina C é o substrato da desoxicitidina desaminase (EC 3.5.4.14), que a converte em 2′

Condições de armazenamento de armazenamento

Armazenar a -20°C

Enviado em

Arca de gelo + almofadas de gelo

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

504752485

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752485

Sorrisos canónicos

C1C(C(OC1N2C=CC(=NC2=O)N)CO)O

IUPAC Name

4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

InChIKey

CKTSBUTUHBMZGZ-SHYZEUOFSA-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+/m0/s1

SMILES isoméricas

C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O

WGK Alemanha

3

RTECS

HA3800000

CAS alternativo

652157-52-3

Peso molecular

227.22

Beilstein

87567

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
    • Classe Pyrimidine nucleosides
      • Subclass Pyrimidine 2'-deoxyribonucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Classe: 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
• Descrição: 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: Deoxyribonucleosides

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

Alvos associados (humanos)

DCK Tchem Deoxycytidine kinase (530 Activities)

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TK1 Tchem Thymidine kinase, cytosolic (627 Activities)

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CCRF-CEM (65223 Activities)

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DU-145 (51482 Activities)

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MCF7 (126967 Activities)

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MT4 (17854 Activities)

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ATH-8 cell line (300 Activities)

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HaCaT (4069 Activities)

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HCT-116 (91556 Activities)

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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

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Alvos associados (não humanos)

TK Thymidine kinase (276 Activities)

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pol Human immunodeficiency virus type 1 reverse transcriptase (18245 Activities)

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Deoxycytidylate deaminase (6 Activities)

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Cda Cytidine deaminase (37 Activities)

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dnk Deoxynucleoside kinase (95 Activities)

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deoA Thymidine phosphorylase (531 Activities)

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Uck1 Uridine-cytidine kinase 1 (5 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Tk2 Thymidine kinase 2 (53 Activities)

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Enterococcus faecium (13803 Activities)

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Human immunodeficiency virus (3636 Activities)

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L1210 (27553 Activities)

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C6 (2371 Activities)

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L6 (7924 Activities)

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LM (36 Activities)

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dak Deoxyadenosine kinase (12 Activities)

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Perknaster fuscus (7 Activities)

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Woodchuck hepatitis virus (122 Activities)

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Ileum (29 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water, DMSO.
• Rotação específica [α]: 59 ° (C=1, H2O)
• Ponto de fusão (°C): 209-211°C
• Peso molecular: 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

Perguntas frequentes

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

The CAS Number is 951-77-9, the molecular formula is C9H13N3O4, and the molecular weight is 227.22 g/mol. InChIKey CKTSBUTUHBMZGZ-SHYZEUOFSA-N.

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 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.