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Hadacidin (sodium)

CAT: 0804-HY-126055ASize: 1 EachDry Ice: NoHazardous: No
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Description
Hadacidin sodium is a competitive inhibitor of adenylate synthase. Hadacidin sodium binds to the active site of adenylate synthase, competitively inhibiting L-aspartate binding. Hadacidin sodium can be used in drug design, to help develop new inhibitors or activators to regulate adenylate synthase activity, and to play a role in the study of related diseases[1].
CAS Number
2618-22-6
UNSPSC
12352211
Target
Adenylate Cyclase
Type
Reference compound
Related Pathways
GPCR/G Protein
Applications
Neuroscience-Neuromodulation
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/hadacidin-sodium.html
Smiles
O=C(O[Na])CN(O)C=O
Molecular Formula
C3H4NNaO4
Molecular Weight
141.06
References & Citations
[1]Z Hou, et al. IMP alone organizes the active site of adenylosuccinate synthetase from Escherichia coli. Journal of Biological Chemistry 277.8 (2002) : 5970-5976.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Hadacidin, monosodium salt
CAS Number2618-22-6
PubChem CID23675940
IUPAC Namesodium 2-[formyl(hydroxy)amino]acetate
Molecular FormulaC3H4NNaO4
Molecular Weight141.06
Topological Polar Surface Area80.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity106
SMILES
C(C(=O)[O-])N(C=O)O.[Na+]
InChI
InChI=1S/C3H5NO4.Na/c5-2-4(8)1-3(6)7;/h2,8H,1H2,(H,6,7);/q;+1/p-1
InChIKey
GAGCLKDXQBHHBE-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Hadacidin, monosodium salt
CAS: 2618-22-6
CID: 23675940
Formula: C3H4NNaO4
MW: 141.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight141.06
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass141.00380189
Monoisotopic Mass141.00380189
Topological Polar Surface Area80.7 Ų
Heavy Atom Count9
Formal Charge0
Complexity106
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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