Telbivudine - ≥98% , DNA polymerase/reverse transcriptase inhibitor, CAS No.3424-98-4, DNA polymerase/reverse transcriptase inhibitor

CAS: 3424-98-4 Cat. No.: T129668 Fórmula: C₁₀H₁₄N₂O₅ Peso molecular: 242.23 Número CE: 608-961-3

GRAU & PUREZA ≥98%

Synonyms

BP-58605 | DB01265 | Epavudine;L-Thymidine;NV 02B | Telbivudine (Sebivo, Tyzeka) | beta-L-Thymidine | Tyzeka | AC-5632 | AS-35209 | beta-L-2'-Deoxythymidine | Telbivudina | TELBIVUDINE (MART.) | CHEBI:63624 | NB 02B | Telbivudine (USAN/INN) | 1-(2-Deoxy-b

Storage

Store at 2-8°C

Shipped In

Wet ice

Visão geral

Telbivudine is a potent, and selective HBV reverse transcriptase inhibitor, used to treat HBV infection.
A specific hepatitis B virus (HBV) replication inhibitor

Especificações

Sinónimos

BP-58605 | DB01265 | Epavudine;L-Thymidine;NV 02B | Telbivudine (Sebivo, Tyzeka) | beta-L-Thymidine | Tyzeka | AC-5632 | AS-35209 | beta-L-2'-Deoxythymidine | Telbivudina | TELBIVUDINE (MART.) | CHEBI:63624 | NB 02B | Telbivudine (USAN/INN) | 1-(2-Deoxy-b

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

Telbivudine is a nucleoside analog. A specific inhibitor of hepatitis B virus (HBV) replication. Antiviral.Antiviral agent. Thymidine analog. Shows immunomodulatory effects. Suppresses programmed death ligand 1 expression on T cells. Orally active. Potent

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Mecanismo de ação

DNA polymerase/reverse transcriptase inhibitor

Nota

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.

Pureza

≥98%

Propriedades do produto

ALogP

-1.2

Nomes e identificadores

Pubchem Sid

488188284

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188284

Sorrisos canónicos

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O

IUPAC Name

1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

InChIKey

IQFYYKKMVGJFEH-CSMHCCOUSA-N

INCHI

1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m1/s1

SMILES isoméricas

CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)CO)O

WGK Alemanha

3

RTECS

UV9048500

Peso molecular

242.23

Reaxy-Rn

889638

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=889638&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 Hydropyrimidines Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Ureas Secondary alcohols Lactams Oxacyclic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine 2'-deoxyribonucleoside - Pyrimidone - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Tetrahydrofuran - Vinylogous amide - Lactam - Secondary alcohol - Urea - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - 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: 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

Alvos associados (humanos)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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CACNA1C Tclin Voltage-gated L-type calcium channel alpha-1C subunit (766 Activities)

Discover Target: CACNA1C

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KCND3 Tclin Voltage-gated potassium channel subunit Kv4.3 (100 Activities)

Discover Target: KCND3

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

SCN5A Tclin Sodium channel protein type V alpha subunit (3462 Activities)

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Homo sapiens (32628 Activities)

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HEK293 (82097 Activities)

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HepG2 (196354 Activities)

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ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)

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

ABCB11 Tchem Bile salt export pump (2311 Activities)

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ABCC3 Tbio Canalicular multispecific organic anion transporter 2 (718 Activities)

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

ABCC4 Tchem Multidrug resistance-associated protein 4 (785 Activities)

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

KCNQ1 Tclin Voltage-gated potassium channel, IKs; KCNQ1(Kv7.1)/KCNE1(MinK) (185 Activities)

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HepG2 2.2.15 (869 Activities)

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Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

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

Hepatitis B virus (7925 Activities)

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Human immunodeficiency virus 1 (70413 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Woodchuck hepatitis virus (122 Activities)

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HBcAg Core antigen (581 Activities)

Discover Target: HBcAg

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

Cacna1c Voltage-gated L-type calcium channel (1164 Activities)

Discover Target: Cacna1c

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water (48 mg/ml at 25 °C), DMSO (48 mg/ml at 25 °C), and ethanol (2 mg/ml at 25 °C)
• Peso molecular: 242.230 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 242.09 Da
• Monoisotopic Mass: 242.09 Da
• Topological Polar Surface Area: 99.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 381.000
• 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