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Calcium mesoxalate

CAT: 0804-HY-W540188Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W540188Size:1 Each
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Description
Calcium mesoxalate blocks HIV-1 RT (IC50: 2.2 μM) [1][2].
CAS Number
21085-60-9
Product Name Alternative
Ketomalonic acid (calcium) ; Mesoxalic acid (calcium) ; Oxomalonic acid (calcium)
UNSPSC
12352300
Hazard Statement
H302, H315, H319, H335
Target
HIV; Reverse Transcriptase
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/ketomalonic-acid-calcium.html
Solubility
10 mM in DMSO
Smiles
O=C(C([O-])=O)C([O-])=O.[Ca+2]
Molecular Formula
C3CaO5
Molecular Weight
156.11
Precautions
H302, H315, H319, H335
References & Citations
[1]Jean A Bernatchez, et al. Derivatives of mesoxalic acid block translocation of HIV-1 reverse transcriptase. J Biol Chem. 2015 Jan 16;290 (3) :1474-84.|[2]W R Davis, et al. Inhibition of HIV-1 reverse transcriptase-catalyzed DNA strand transfer reactions by 4-chlorophenylhydrazone of mesoxalic acid. Biochemistry. 2000 Nov 21;39 (46) :14279-91.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
HIV-1

Chemical Information

Calcium mesoxalate
CAS Number21085-60-9
PubChem CID20055227
IUPAC Namecalcium 2-oxopropanedioate
Molecular FormulaC3CaO5
Molecular Weight156.11
Topological Polar Surface Area97.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity119
SMILES
C(=O)(C(=O)[O-])C(=O)[O-].[Ca+2]
InChI
InChI=1S/C3H2O5.Ca/c4-1(2(5)6)3(7)8;/h(H,5,6)(H,7,8);/q;+2/p-2
InChIKey
YYJSBERANQTJJH-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Calcium mesoxalate
CAS: 21085-60-9
CID: 20055227
Formula: C3CaO5
MW: 156.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight156.11
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass155.9371639
Monoisotopic Mass155.9371639
Topological Polar Surface Area97.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity119
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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