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FR900098 (sodium)

CAT: 0804-HY-122817-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-122817-01Size:1 mg
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Description
FR900098 sodium is an antimalarial agent that inhibits 1-deoxy-d-xylulose-5-phosphate (DXP) reductoisomerase. FR900098 sodium has no significant acute toxicity or genotoxicity, and does not have the ability to cause chromosome breakage or heterogeneity. FR900098 sodium has no effect on bone marrow red blood cells in NMRI mice[1][2].
CAS Number
73226-73-0
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
Antibiotic; Parasite
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/fr900098-sodium.html
Purity
99.7
Solubility
10 mM in DMSO
Smiles
O=C(C)N(CCCP(O)(O[Na])=O)O
Molecular Formula
C5H11NNaO5P
Molecular Weight
219.11
Precautions
H302, H315, H319, H335
References & Citations
[1]Okuhara M, et al. Studies on new phosphonic acid antibiotics. I. FR-900098, isolation and characterization. J Antibiot (Tokyo) . 1980 Jan;33 (1) :13-7.|[2]Wiesner J, et al. FR-900098, an antimalarial development candidate that inhibits the non-mevalonate isoprenoid biosynthesis pathway, shows no evidence of acute toxicity and genotoxicity. Virulence. 2016 Aug 17;7 (6) :718-28.|[3]Verbrugghen T, et al. Synthesis and evaluation of α-halogenated analogues of 3- (acetylhydroxyamino) propylphosphonic acid (FR900098) as antimalarials[J]. Journal of medicinal chemistry, 2010, 53 (14) : 5342-5346.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

FR 900098 Monosodium Salt

See also: FR 900098 (annotation moved to).

CAS Number73226-73-0
PubChem CID23665714
IUPAC Namesodium 3-[acetyl(hydroxy)amino]propyl-hydroxyphosphinate
Molecular FormulaC5H11NNaO5P
Molecular Weight219.11
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity211
SMILES
CC(=O)N(CCCP(=O)(O)[O-])O.[Na+]
InChI
InChI=1S/C5H12NO5P.Na/c1-5(7)6(8)3-2-4-12(9,10)11;/h8H,2-4H2,1H3,(H2,9,10,11);/q;+1/p-1
InChIKey
LCFXFDGYDKNWMD-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of FR 900098 Monosodium Salt
CAS: 73226-73-0
CID: 23665714
Formula: C5H11NNaO5P
MW: 219.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight219.11
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass219.02725373
Monoisotopic Mass219.02725373
Topological Polar Surface Area101 Ų
Heavy Atom Count13
Formal Charge0
Complexity211
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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