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Buparvaquone - 10mM in DMSO, high purity , CAS No.88426-33-9(DMSO)

    Grade & Purity:
  • 10mM in DMSO
In stock
Item Number
B580321
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B580321-1ml
1ml
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$134.90

Buparvaquone is a hydroxynaphthoquinone antiprotozoal drug related to parvaquone and atovaquone.

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Compound libraries (12325)

Basic Description

Synonyms AKOS030524058 | 1,4-Naphthalenedione, 2-[[4-(1,1-dimethylethyl)cyclohexyl]methyl]-3-hydroxy- | 2-((4-tert-Butylcyclohexyl)methyl)-3-hydroxy-1,4-naphthoquinone | SCHEMBL9598809 | SR-05000022562-1 | Toluene, o-nitro- | CAS-88426-33-9 | NCGC00253624-01 | 1,4
Specifications & Purity 10mM in DMSO
Biochemical and Physiological Mechanisms Buparvaquone is a second-generation hydroxynaphthoquinone antiprotozoal drug related to parvaquone and atovaquone. Buparvaquone is indicated for the therapy and prophylaxis of all forms of Theileriosis and found to have an anti-Leishmanial activity.
Storage Temp Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description

In vitro activity:
Buparvaquone is significantly selective against L. (L.) infantum chagasi intracellular amastigotes, with an IC50 value of 1.5 μM. In 4-day proliferation assays, buparvaquone efficiently inhibits N. caninum tachyzoite replication(IC50=4.9 nM; IC100=100 nM). Other cutaneous species are also susceptible to buparvaquone, with IC50 values in the range 1-4 μM.

In vivo activity:
Both a hydrous gel and water-in-oil emulsion of buparvaquone significantly reduce cutaneous parasite burden and lesion size, compared with the untreated control. Treatment of N. caninum infected mice with buparvaquone (100 mg/kg) either by intraperitoneal injection or gavage prevents neosporosis symptoms in 4 out of 6 mice in the intraperitoneally treated group, and in 6 out of 7 mice in the group receiving oral treatment.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Naphthalenes
Subclass Naphthoquinones
Intermediate Tree Nodes Not available
Direct Parent Naphthoquinones
Alternative Parents Naphthols and derivatives  Menthane monoterpenoids  Bicyclic monoterpenoids  Aromatic monoterpenoids  Quinones  Aryl ketones  Vinylogous acids  Enols  Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aromatic homopolycyclic compounds
Substituents Naphthoquinone - 1-naphthol - Aromatic monoterpenoid - Bicyclic monoterpenoid - P-menthane monoterpenoid - Monoterpenoid - Aryl ketone - Quinone - Vinylogous acid - Ketone - Cyclic ketone - Enol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homopolycyclic compound
Description This compound belongs to the class of organic compounds known as naphthoquinones. These are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring linearly fused to a bezene-1,4-dione (quinone).
External Descriptors Not available

Names and Identifiers

IUPAC Name 3-[(4-tert-butylcyclohexyl)methyl]-4-hydroxynaphthalene-1,2-dione
INCHI InChI=1S/C21H26O3/c1-21(2,3)14-10-8-13(9-11-14)12-17-18(22)15-6-4-5-7-16(15)19(23)20(17)24/h4-7,13-14,22H,8-12H2,1-3H3
InChIKey NEGDTWQGGLJCTL-UHFFFAOYSA-N
Smiles CC(C)(C)C1CCC(CC1)CC2=C(C3=CC=CC=C3C(=O)C2=O)O
Isomeric SMILES CC(C)(C)C1CCC(CC1)CC2=C(C3=CC=CC=C3C(=O)C2=O)O
Molecular Weight 326.43
Reaxy-Rn 25802325
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25802325&ln=

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

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

Chemical and Physical Properties

Solubility DMSO: 10 mM
Molecular Weight 326.400 g/mol
XLogP3 5.300
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 326.188 Da
Monoisotopic Mass 326.188 Da
Topological Polar Surface Area 54.400 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 544.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
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

Solution Calculators

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