This is a demo store. No orders will be fulfilled.

ABT-072 - 99%, high purity , Hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitor, CAS No.1132936-00-5, Hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitor

    Grade & Purity:
  • ≥99%
In stock
Item Number
A650104
Grouped product items
SKU Size
Availability
Price Qty
A650104-1mg
1mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$250.90
A650104-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$500.90
A650104-10mg
10mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$800.90

Basic Description

Synonyms 1132936-00-5 | SCHEMBL479219 | DC20625 | ABT 072 | AKOS027337126 | Methanesulfonamide, N-(4-((1E)-2-(5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-3-(1,1-dimethylethyl)-2-methoxyphenyl)ethenyl)phenyl)- | N-[4-[(E)-2-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)
Specifications & Purity ≥99%
Biochemical and Physiological Mechanisms ABT-072 is an orally active and potent non-nucleoside HCV NS5B polymerase inhibitor (HCV GT1a EC 50 =1 nM; HCV GT1b EC 50 =0.3 nM).
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 Hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitor
Product Description

ABT-072 is an orally active and potent non-nucleoside HCV NS5B polymerase inhibitor (HCV GT1a EC 50 =1 nM; HCV GT1b EC 50 =0.3 nM)

In Vitro

ABT-072 is a non-nucleoside NS5B polymerase inhibitor with nanomolar potency in vitro against genotype 1a and 1b hepatitis C virus polymerases. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

ABT-072 (5 and/or 30 mg/kg; i.v. or p.o.) shows good PK properties. ABT-072 (2.5 and/or 30 mg/kg; i.v. or p.o.) shows low plasma clearance and high oral bioavailability. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: RatsDosage: 5 and/or 30 mg/kg (Pharmacokinetic Analysis) Administration: I.v. or p.o. Result: Showed good PK properties. Animal Model: DogDosage: 2.5 or 30 mg/kg (Pharmacokinetic Analysis) Administration: I.v. or p.o. Result: Showed low plasma clearance and high oral bioavailability.

Form:Solid

IC50& Target:NS5B polymerase

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Phenylpropanoids and polyketides
Class Stilbenes
Subclass Not available
Intermediate Tree Nodes Not available
Direct Parent Stilbenes
Alternative Parents Sulfanilides  Phenylpropanes  Methoxyanilines  Styrenes  Phenoxy compounds  Methoxybenzenes  Anisoles  Pyrimidones  Alkyl aryl ethers  Organosulfonamides  Organic sulfonamides  Hydropyrimidines  Vinylogous amides  Heteroaromatic compounds  Aminosulfonyl compounds  Ureas  Lactams  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aromatic heteromonocyclic compounds
Substituents Stilbene - Sulfanilide - Methoxyaniline - Phenylpropane - Phenoxy compound - Methoxybenzene - Styrene - Phenol ether - Anisole - Pyrimidone - Alkyl aryl ether - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid amide - Pyrimidine - Hydropyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Urea - Lactam - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
External Descriptors Not available

Product Properties

ALogP 3.6

Associated Targets(Human)

Homo sapiens (32628 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Canis familiaris (36305 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Hepatitis C virus (23859 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Plasma (328 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

IUPAC Name N-[4-[(E)-2-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]ethenyl]phenyl]methanesulfonamide
INCHI InChI=1S/C24H27N3O5S/c1-24(2,3)20-15-19(27-13-12-21(28)25-23(27)29)14-17(22(20)32-4)9-6-16-7-10-18(11-8-16)26-33(5,30)31/h6-15,26H,1-5H3,(H,25,28,29)/b9-6+
InChIKey XMZSTQYSBYEENY-RMKNXTFCSA-N
Smiles CC(C)(C)C1=CC(=CC(=C1OC)C=CC2=CC=C(C=C2)NS(=O)(=O)C)N3C=CC(=O)NC3=O
Isomeric SMILES CC(C)(C)C1=CC(=CC(=C1OC)/C=C/C2=CC=C(C=C2)NS(=O)(=O)C)N3C=CC(=O)NC3=O
Alternate CAS 1132936-00-5,1214735-11-1
PubChem CID 57775240
MeSH Entry Terms ABT-072
Molecular Weight 469.55

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

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

Chemical and Physical Properties

Solubility DMSO : 80 mg/mL (170.38 mM; Need ultrasonic)
Molecular Weight 469.600 g/mol
XLogP3 3.600
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 7
Exact Mass 469.167 Da
Monoisotopic Mass 469.167 Da
Topological Polar Surface Area 113.000 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 879.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 1
Covalently-Bonded Unit Count 1

Solution Calculators

Reviews

Customer Reviews

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.