Telbivudine - 10mM in DMSO , DNA polymerase/reverse transcriptase inhibitor, CAS No.3424-98-4, DNA polymerase/reverse transcriptase inhibitor

CAS: 3424-98-4 Cat. No.: T423497 Fórmula: C₁₀H₁₄N₂O₅ Peso molecular: 242.23 Número CE: 608-961-3

GRADE & PURITY 10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

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

Specifications

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

10mM in DMSO

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 -80°C

Enviado em

Dry ice packs + Cold packs

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

Propriedades do produto

• ALogP: -1.2

Nomes e identificadores

• Pubchem Sid: 528767476
• 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

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

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

Discover Target: CACNA1C

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

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)

Discover Target: SCN5A

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

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

Discover Target: ABCC2

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

ABCB11 Tchem Bile salt export pump (2311 Activities)

Discover Target: ABCB11

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

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)

Discover Target: ABCC4

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)

Discover Target: KCNQ1

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

HepG2 2.2.15 (869 Activities)

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Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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)

Discover Target: rep

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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

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

Mecanismos de ação

Propriedades químicas e físicas

• 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