Entecavir - 10mM in DMSO , DNA polymerase/reverse transcriptase inhibitor, CAS No.142217-69-4, DNA polymerase/reverse transcriptase inhibitor

CAS: 142217-69-4 Cat. No.: E421565 Formula: C₁₂H₁₅N₅O₃ Peso molecolare: 277.3

QUALITÀ & PUREZZA 10mM in DMSO

Synonyms

CAS-142217-69-4 | SQ 34676 | SQ34676 | SQ-34676 | 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-3H-purin-6-one | SCHEMBL15198001 | 3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one | DTXCID2026446 | ENTECAVIR [WHO-D

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifiche

Sinonimi

CAS-142217-69-4 | SQ 34676 | SQ34676 | SQ-34676 | 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-3H-purin-6-one | SCHEMBL15198001 | 3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one | DTXCID2026446 | ENTECAVIR [WHO-D

Specifiche e purezza

10mM in DMSO

Meccanismi biochimici e fisiologici

Potent and selective hepatitis B virus reverse transcriptase inhibitor (EC50= 3 nM); guanine analog. Inhibits hepatitis B virus replication in HepG2.2.15 cells. Displays selectively over HCMV, HSV-1, VZV, HIV and influenza (EC50values are 15, 32, 30-60, >

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Meccanismo d'azione

DNA polymerase/reverse transcriptase inhibitor

Proprietà del prodotto

ALogP

-1.3

Nomi e identificatori

Pubchem Sid

528764406

Sorrisi canonici

C=C1C(CC(C1CO)O)N2C=NC3=C2N=C(NC3=O)N

IUPAC Name

2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one

InChIKey

QDGZDCVAUDNJFG-FXQIFTODSA-N

INCHI

1S/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7-,8-/m0/s1

Isomeri SMILES

C=C1[C@H](C[C@@H]([C@H]1CO)O)N2C=NC3=C2N=C(NC3=O)N

WGK Germania

3

Peso molecolare

277.3

Reaxy-Rn

14013828

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14013828&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Classe Nucleoside and nucleotide analogues

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Classe: Nucleoside and nucleotide analogues
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Nucleoside and nucleotide analogues
• Alternative Parents: Hypoxanthines 6-oxopurines Pyrimidones Aminopyrimidines and derivatives N-substituted imidazoles Cyclopentanols Vinylogous amides Heteroaromatic compounds Cyclic alcohols and derivatives Azacyclic compounds Primary amines Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 6-oxopurine - Hypoxanthine - Purinone - Purine - Imidazopyrimidine - Aminopyrimidine - Pyrimidone - Cyclopentanol - Pyrimidine - N-substituted imidazole - Azole - Cyclic alcohol - Heteroaromatic compound - Imidazole - Vinylogous amide - Secondary alcohol - Azacycle - Organoheterocyclic compound - Primary alcohol - Primary amine - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as nucleoside and nucleotide analogues. These are analogues of nucleosides and nucleotides. These include phosphonated nucleosides, C-glycosylated nucleoside bases, analogues where the sugar unit is a pyranose, and carbocyclic nucleosides, among others.
• External Descriptors: secondary alcohol - oxopurine - primary alcohol - 2-aminopurines

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

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F2 Tclin Thrombin (11687 Activities)

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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PGR Tclin Progesterone receptor (8562 Activities)

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CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

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HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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GABRA1 Tclin GABA receptor alpha-1 subunit (399 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

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SLC6A2 Tclin Norepinephrine transporter (10102 Activities)

Discover Target: SLC6A2

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ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

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SLC6A4 Tclin Serotonin transporter (12625 Activities)

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ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

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OPRM1 Tclin Mu opioid receptor (19785 Activities)

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DRD3 Tclin Dopamine D3 receptor (14368 Activities)

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SLC6A3 Tclin Dopamine transporter (10535 Activities)

Discover Target: SLC6A3

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KCNH2 Tclin HERG (29587 Activities)

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PDE3A Tclin Phosphodiesterase 3A (3309 Activities)

Discover Target: PDE3A

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HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)

Discover Target: HTR2B

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TBXA2R Tclin Thromboxane A2 receptor (5717 Activities)

Discover Target: TBXA2R

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PDE4A Tclin Phosphodiesterase 4A (1943 Activities)

Discover Target: PDE4A

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 277.280 g/mol
• XLogP3: -1.300
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 277.117 Da
• Monoisotopic Mass: 277.117 Da
• Topological Polar Surface Area: 126.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 480.000
• 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