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Entecavir - 98%, high purity , DNA polymerase/reverse transcriptase inhibitor, CAS No.142217-69-4, DNA polymerase/reverse transcriptase inhibitor

1 Citations COA COA
    Grade & Purity:
  • ≥98%
In stock
Item Number
E181466
Grouped product items
SKU Size
Availability
 Price Qty
E181466-50mg
50mg
3
$205.90
E181466-250mg
250mg
3
$927.90
E181466-1g
1g
3
$3,337.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet

Potent and selective hepatitis B virus inhibitor

View related series
Anti-infection (2803) HBV (114) Virus (1811)

Basic Description

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
Specifications & Purity ≥98%
Biochemical and Physiological Mechanisms 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, >
Storage Temp Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type INHIBITOR
Mechanism of action DNA polymerase/reverse transcriptase inhibitor

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Nucleosides, nucleotides, and analogues
Class 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
Description 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

Product Properties

ALogP -1.3

Associated Targets(Human)

F2 Tclin Thrombin (11687 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ESR1 Tclin Estrogen receptor alpha (17718 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PGR Tclin Progesterone receptor (8562 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
AR Tclin Androgen Receptor (11781 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GABRA1 Tclin GABA receptor alpha-1 subunit (399 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MAOA Tclin Monoamine oxidase A (11911 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
DRD1 Tclin Dopamine D1 receptor (9720 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SLC6A2 Tclin Norepinephrine transporter (10102 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADORA1 Tclin Adenosine A1 receptor (17603 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SLC6A4 Tclin Serotonin transporter (12625 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
OPRM1 Tclin Mu opioid receptor (19785 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
DRD3 Tclin Dopamine D3 receptor (14368 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SLC6A3 Tclin Dopamine transporter (10535 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PDE3A Tclin Phosphodiesterase 3A (3309 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TBXA2R Tclin Thromboxane A2 receptor (5717 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PDE4A Tclin Phosphodiesterase 4A (1943 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 504773222
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504773222
IUPAC Name 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one
INCHI 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
InChIKey QDGZDCVAUDNJFG-FXQIFTODSA-N
Smiles C=C1C(CC(C1CO)O)N2C=NC3=C2N=C(NC3=O)N
Isomeric SMILES C=C1[C@H](C[C@@H]([C@H]1CO)O)N2C=NC3=C2N=C(NC3=O)N
WGK Germany 3
Molecular Weight 277.3
Reaxy-Rn 14013828
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14013828&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number Certificate Type Date Item
G2410034 Certificate of Analysis Jul 16, 2022 E181466
G2213311 Certificate of Analysis Jul 16, 2022 E181466
G2213314 Certificate of Analysis Jul 16, 2022 E181466
G2213312 Certificate of Analysis Jul 16, 2022 E181466

Chemical and Physical Properties

Solubility Solvent:DMSO, Max Conc. mg/mL: 27.73, Max Conc. mM: 100
Molecular Weight 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

Citations of This Product

How to Cite Aladdin Scientific Products?
1. Cao Xu, Zhang Ningyi, Chen Hening, Wang Wei, Liang Yijun, Zhang Jiaxin, Liu Ruijia, Li Shuo, Yao Yuhao, Jin Qian, Guo Ziwei, Chen Yue, Gong Yuanyuan, Li Xiaoke, Zao Xiaobin, Ye Yong’an.  (2023)  Exploring the mechanism of JiGuCao capsule formula on treating hepatitis B virus infection via network pharmacology analysis and in vivo/vitro experiment verification.  Frontiers in Pharmacology,  14   

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