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Hex

CAT: 0013-GTR19264867Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19264867Size:1 mg
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Description
Hex is an enolase inhibitor and antimalarial agent with Ki values of 74.4 nM and 269.4 nM against ENO2 and ENO1, respectively; its IC50 values against NfENO and TbENO are 0.14 μM and 2.1 μM, respectively. Hex exhibits antimalarial activity against Plasmodium falciparum 3D7, Naegleria fowleri trophozoites, and Plasmodium berghei ANKA strain, and also shows certain antitumor effects against intracranial tumors.
CAS Number
2004714-32-1
Field of Research
Infectious Disease & Virology, Metabolism Research, Stem Cell & Developmental Biology
Smiles
O=C1N (O) CCCC1P (=O) (O) O
Molecular Formula
C5H10NO5P
Molecular Weight
195.11
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(1-Hydroxy-2-oxopiperidin-3-yl)phosphonic acid
CAS Number2004714-32-1
PubChem CID122540907
IUPAC Name(1-hydroxy-2-oxopiperidin-3-yl)phosphonic acid
Molecular FormulaC5H10NO5P
Molecular Weight195.11
XLogP-1.5
Topological Polar Surface Area98.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity236
SMILES
C1CC(C(=O)N(C1)O)P(=O)(O)O
InChI
InChI=1S/C5H10NO5P/c7-5-4(12(9,10)11)2-1-3-6(5)8/h4,8H,1-3H2,(H2,9,10,11)
InChIKey
DVZQUMSQEGOYMX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (1-Hydroxy-2-oxopiperidin-3-yl)phosphonic acid
CAS: 2004714-32-1
CID: 122540907
Formula: C5H10NO5P
MW: 195.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight195.11
XLogP3-1.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass195.02965942
Monoisotopic Mass195.02965942
Topological Polar Surface Area98.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity236
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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