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IpOHA

CAT: 0804-HY-153351-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-153351-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
IpOHA is a potent plant KARI inhibitor. IpOHA also is an antimycobacterial agent with a Ki value of 97.7 nM for Mycobacterium tuberculosis (Mt) [1].
CAS Number
132418-03-2
UNSPSC
12352211
Hazard Statement
H228, H302
Target
Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/ipoha.html
Purity
98.61
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
O=C(C(N(C(C)C)O)=O)O
Molecular Formula
C5H9NO4
Molecular Weight
147.13
Precautions
H228, H302
References & Citations
[1]Kandale A, et al. Analogues of the Herbicide, N-Hydroxy-N-isopropyloxamate, Inhibit Mycobacterium tuberculosis Ketol-Acid Reductoisomerase and Their Prodrugs Are Promising Anti-TB Drug Leads. J Med Chem. 2021 Feb 11;64 (3) :1670-1684.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(Hydroxy(propan-2-yl)carbamoyl)formic acid
CAS Number132418-03-2
PubChem CID73284
IUPAC Name2-[hydroxy(propan-2-yl)amino]-2-oxoacetic acid
Molecular FormulaC5H9NO4
Molecular Weight147.13
XLogP0.5
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity154
SMILES
CC(C)N(C(=O)C(=O)O)O
InChI
InChI=1S/C5H9NO4/c1-3(2)6(10)4(7)5(8)9/h3,10H,1-2H3,(H,8,9)
InChIKey
QVIOSGUKMDGWNN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (Hydroxy(propan-2-yl)carbamoyl)formic acid
CAS: 132418-03-2
CID: 73284
Formula: C5H9NO4
MW: 147.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight147.13
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass147.05315777
Monoisotopic Mass147.05315777
Topological Polar Surface Area77.8 Ų
Heavy Atom Count10
Formal Charge0
Complexity154
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA1433-1IpOHA

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