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Iso-OMPA

CAT: 0804-HY-131922-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-131922-02Size:10 mM - 1 mL
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Description
Iso-OMPA (Tetraisopropyl pyrophosphoramide) is a selective inhibitor of the irreversible butyrylcholinesterase (BuChE) . Iso-OMPA enhances soman toxicity in rats associated with the inhibition of plasma carboxylesterase (CarbE) [1][2][3].
CAS Number
513-00-8
Product Name Alternative
Tetraisopropyl pyrophosphoramide
UNSPSC
12352211
Hazard Statement
H300+H310+H330
Target
Cholinesterase (ChE)
Type
Reference compound
Related Pathways
Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/iso-ompa.html
Concentration
10mM
Purity
99.90
Solubility
DMSO : 100 mg/mL (ultrasonic) |H2O : 10 mg/mL (ultrasonic)
Smiles
O=P(NC(C)C)(NC(C)C)OP(NC(C)C)(NC(C)C)=O
Molecular Formula
C12H32N4O3P2
Molecular Weight
342.36
Precautions
H300+H310+H330
References & Citations
[1]Rodríguez-Fuentes G, et al. Characterization of cholinesterase activity from different tissues of Nile tilapia (Oreochromis niloticus) . Mar Environ Res. 2004 Aug-Dec;58 (2-5) :505-9.|[2]Z Grubic, et al. Iso-OMPA-induced potentiation of soman toxicity in rat correlates with the inhibition of plasma carboxylesterases. Arch Toxicol. 1988;62 (5) :398-9.|[3]X Norel, et al. Degradation of acetylcholine in human airways: role of butyrylcholinesterase. Br J Pharmacol. 1993 Apr;108 (4) :914-9.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

iso-OMPA

Diphosphoramide, N,N',N'',N'''-tetrakis(1-methylethyl)- is a phosphoramide.

CAS Number513-00-8
PubChem CID5420
IUPAC NameN-[bis(propan-2-ylamino)phosphoryloxy-(propan-2-ylamino)phosphoryl]propan-2-amine
Molecular FormulaC12H32N4O3P2
Molecular Weight342.36
XLogP1
Topological Polar Surface Area91.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count21
Formal Charge0
Complexity336
SMILES
CC(C)NP(=O)(NC(C)C)OP(=O)(NC(C)C)NC(C)C
InChI
InChI=1S/C12H32N4O3P2/c1-9(2)13-20(17,14-10(3)4)19-21(18,15-11(5)6)16-12(7)8/h9-12H,1-8H3,(H2,13,14,17)(H2,15,16,18)
InChIKey
IOIMDJXKIMCMIG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of iso-OMPA
CAS: 513-00-8
CID: 5420
Formula: C12H32N4O3P2
MW: 342.36
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight342.36
XLogP31
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass342.19496489
Monoisotopic Mass342.19496489
Topological Polar Surface Area91.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity336
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