ChemicalBook--->CAS DataBase List--->139001-49-3

139001-49-3

139001-49-3 Structure

139001-49-3 Structure
IdentificationBack Directory
[Name]

PROFOXYDIM-LITHIUM
[CAS]

139001-49-3
[Synonyms]

AIK
ARK1
AURA
STK7
BTAK
STK6
AURKA
AIRK1
STK15
TETRIS
BAS625H
MGC34538
Aurora-A
CLEFOXYDIM
PROFOXYDIM
PROFOXYDIM-LITHIUM
Aurora-family kinase 1
Aurora-related kinase 1
PROFOXYDIM LITHIUM SALT
CLEFOXYDIM LITHIUM SALT
Aurora Kinase A active human
GRK2, active, GST tagged human
AURORA A, active, GST tagged human
Anti-Serine/threonine protein kinase 15
AURORA A, active, GST tagged from mouse
Anti-Aurora Kinase antibody produced in rabbit
AntiSTK15 (Serine/threonine protein kinase 15)
ANTI-AIK(N-TERMINAL) antibody produced in rabbit
Monoclonal Anti-AURKA antibody produced in mouse
Anti-AURA, C-Terminal antibody produced in rabbit
ANTI-AURORA-A(C-TERMINAL) antibody produced in rabbit
2-Cyclohexen-1-one, 2-[1-[[2-(4-chlorophenoxy)propoxy]imino]butyl]-3-hydroxy-5-(tetrahydro-2H-thiopyran-3-yl)-
(5RS)-2-{(EZ)-1-[(2RS)-2-(4-chlorophenoxy)propoxyimino]butyl}-3-hydroxy-5-[(3RS)-thian-3-yl]cyclohex-2-en-1-one
[Molecular Formula]

C24H32ClNO4S
[MDL Number]

MFCD04112607
[MOL File]

139001-49-3.mol
[Molecular Weight]

466.03
Chemical PropertiesBack Directory
[Melting point ]

<25 °C
[Boiling point ]

597.2±60.0 °C(Predicted)
[density ]

1.26±0.1 g/cm3(Predicted)
[storage temp. ]

-70°C
[solubility ]

DMSO (Slightly), Methanol (Slightly), Water (Slightly)
[form ]

neat
[pka]

4.25±0.25(Predicted)
[color ]

White to Off-White
[biological source]

mouse
[Specific Activity]

62-84nmol/min·mg
[Stability:]

Hygroscopic, Unstable in Solution
[EPA Substance Registry System]

Profoxydim (139001-49-3)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

21/22
[Safety Statements ]

36/37
[WGK Germany ]

3
[REACH Registrations]

Active
[Storage Class]

10 - Combustible liquids
Hazard InformationBack Directory
[Description]

Profoxydim is a post-emergence rice herbicide. It has a moderate aqueous solubility, is volatile and does not present a risk of leaching to groundwater. It is non-persistent in soil but can be persistent in water. It has a low mammalian toxicity and the risk of bioaccumulation is low. No other serious human health risks have been identified. It shows a low to moderate toxicity to birds, aquatic organisms, honeybees and earthworms.
[Uses]

Profoxydim Lithium Salt is a salt of Profoxydim (139001-49-3) and an herbicide.
[Definition]

ChEBI: Profoxydim is a cyclic ketone that is 3-hydroxycyclohex-2-en-1-one substituted by a N-[2-(4-chlorophenoxy)propoxy]butanimidoyl group at position 2 and by a thian-3-yl group at position 5. It is a herbicide used for the control of grass weeds in rice. It has a role as a herbicide and an EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor. It is an oxime O-ether, a member of monochlorobenzenes, an aromatic ether, an enol, an organosulfur heterocyclic compound and a cyclic ketone.
[Production Methods]

The production of profoxydim involves a multi-step organic synthesis based around constructing its cyclohexanedione oxime core. It begins with forming the cyclohexane-1,3-dione ring through condensation reactions, followed by conversion of one of the ketone groups into an oxime using hydroxylamine. A thiazolidine ring is then introduced via cyclization, enhancing the molecule’s selectivity and biological activity. Subsequent steps involve attaching a chlorophenyl group through etherification or coupling reactions to boost lipophilicity. Final modifications include alkylation or esterification to improve solubility and formulation stability.
[General Description]

G-protein-coupled receptor kinase 2 (GRK2), which is officially known as adrenergic, beta, receptor kinase 1 (ADRBK1), gene codes for a 689 amino acid protein, that is of 79.573kDa. This gene has 12 catalytic region subdomains. GRK2 is expressed in the vascular endothelium, arterial smooth muscle, myocardium, kidney and in the renal proximal tubule. It is mapped to human chromosome 11q13.
[Biochem/physiol Actions]

G-protein-coupled receptor kinase 2 (GRK2) or ADRBK1 is a ubiquitous cytosolic enzyme that specifically phosphorylates the activated form of the beta-adrenergic and related G protein-coupled receptors. GRK2 phosphorylates the beta-2-adrenergic receptor and appears to mediate agonist-specific desensitization. Abnormal coupling of beta-adrenergic receptor to G protein is involved in the pathogenesis of the failing heart. RAF kinase inhibitor protein RKIP is a physiologic inhibitor of GRK2. After stimulation of G protein-coupled receptors, RKIP dissociates from its known target, RAF1 to associate with GRK2 and block its activity. G-protein-coupled receptor kinase 2 (GRK2) controls several intracellular mechanisms. It helps to maintain the structure and activities of the heart. Hence it participates in several cardiovascular diseases. GRK2 also modulates ion and fluid transport and eventually, blood pressure. It increases the synthesis of mitochondrial superoxide and reduces oxygen utilization and ATP synthesis. This protein serves as a major onco-modulator.
[Mechanism of action]

Selective in rice, inhibiting weed growth, Acetyl CoA carboxylase inhibitor (ACCase) - distrupts fatty acid biosynthesis and lipid formation.
[Pesticide Type]

Herbicide
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