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Prohexadione (calcium)

CAT: 0804-HY-112105-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-112105-01Size:50 mg
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Description
Prohexadione (BX-112) calcium is a plant growth regulator. Prohexadione inhibits gibberellin biosynthesis of plants[1][2].
CAS Number
127277-53-6
Product Name Alternative
BX-112
UNSPSC
12352211
Hazard Statement
H411, H412
Target
Biochemical Assay Reagents
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/prohexadione-calcium.html
Purity
98.06
Solubility
DMSO : < 1 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
CCC([C-]1C(CC(C(O)=O)CC1=O)=O)=O.[1/2].[1/2].[Ca+2].[Ca]
Molecular Formula
C10H11O5.1/2Ca.1/2Ca
Molecular Weight
251.27
Precautions
H411, H412
References & Citations
[1]Vavilala DT, et al. Prohexadione, a plant growth regulator, inhibits histone lysine demethylases and modulates epigenetics. Toxicol Rep. 2014 Nov 4;1:1152-1161. |[2]Feng N, et al. Prohexadione-calcium alleviates saline-alkali stress in soybean seedlings by improving the photosynthesis and up-regulating antioxidant defense. Ecotoxicol Environ Saf. 2021 Sep 1;220:112369. |[3]Paulson GS, et al. Effect of a plant growth regulator prohexadione-calcium on insect pests of apple and pear. J Econ Entomol. 2005 Apr;98 (2) :423-31. |[4]McGrath MJ, et al. Evidence that prohexadione-calcium induces structural resistance to fire blight infection. Phytopathology. 2009 May;99 (5) :591-6.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Prohexadione

Prohexadione is a 4-oxo monocarboxylic acid that is cyclohexanecarboxylic acid which is substituted by oxo groups at positions 3 and 5, and by a propanoyl group at position 4. A plant growth regulator, it is used (commonly as the corresponding calcium salt, known as prohexadione-calcium) as an anti-lodging agent in small-grain cereals. It has a role as a plant growth regulator, an agrochemical and a gibberellin biosynthesis inhibitor. It is a beta-triketone and a 4-oxo monocarboxylic acid. It is a conjugate acid of a prohexadione(2-).

CAS Number127277-53-6
PubChem CID184900
IUPAC Name3,5-dioxo-4-propanoylcyclohexane-1-carboxylic acid
Molecular FormulaC10H12O5
Molecular Weight212.20
XLogP-0.4
Topological Polar Surface Area88.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity313
SMILES
CCC(=O)C1C(=O)CC(CC1=O)C(=O)O
InChI
InChI=1S/C10H12O5/c1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13/h5,9H,2-4H2,1H3,(H,14,15)
InChIKey
BUCOQPHDYUOJSI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Prohexadione
CAS: 127277-53-6
CID: 184900
Formula: C10H12O5
MW: 212.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight212.20
XLogP3-0.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass212.06847348
Monoisotopic Mass212.06847348
Topological Polar Surface Area88.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity313
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

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