Prohexadione calcium , CAS No.127277-53-6

CAS: 127277-53-6 Cat. No.: P651410 Summenformel: C₁₀H₁₀CaO₅ Molekulargewicht: 250.26 EG-Nummer: 603-193-5 PubChem CID: 12001831

Synonyms

PROHEXADIONE-CALCIUM [HSDB] | 3,5-DIOXO-4-(1-OXOPROPYL)CYCLOHEXANECARBOXYLIC ACID CALCIUM SALT (1:1) | Prohexadione-calcium [ISO] | Prohexadione-Calcium, PESTANAL(R), analytical standard | PROHEXADIONE CALCIUM SALT [MI] | SCHEMBL1067146 | Prohexadione cal

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Übersicht

Prohexadione (BX-112) calcium is a plant growth regulator. Prohexadione inhibits gibberellin biosynthesis of plants

In Vitro

Prohexadione (1 mM) calcium inhibits JMJD2A demethylase activity. Prohexadione (1-2 mM) calcium induces the differentiation of mouse neurospheres into neurons. Prohexadione (100 mg/L, sprayed on the leaves) calcium alleviates saline-alkali stress in soybean seedlings. Prohexadione calcium induces structural resistance to fire blight infection in potted apple trees . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:Gibberellin biosynthesis

Specifications

Synonyme

PROHEXADIONE-CALCIUM [HSDB] | 3,5-DIOXO-4-(1-OXOPROPYL)CYCLOHEXANECARBOXYLIC ACID CALCIUM SALT (1:1) | Prohexadione-calcium [ISO] | Prohexadione-Calcium, PESTANAL(R), analytical standard | PROHEXADIONE CALCIUM SALT [MI] | SCHEMBL1067146 | Prohexadione cal

Biochemische und physiologische Mechanismen

Prohexadione (BX-112) calcium is a plant growth regulator. Prohexadione inhibits gibberellin biosynthesis of plants.

Storage

Store at 2-8°C,Desiccated

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

Kanonisches Lächeln

CCC(=C1C(=O)CC(CC1=O)C(=O)[O-])[O-].[Ca+2]

IUPAC Name

calcium;4-(1-oxidopropylidene)-3,5-dioxocyclohexane-1-carboxylate

InChIKey

NLKUPINTOLSSLD-UHFFFAOYSA-L

INCHI

1S/C10H12O5.Ca/c1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13;/h5,11H,2-4H2,1H3,(H,14,15);/q;+2/p-2

Isomere SMILES

CCC(=C1C(=O)CC(CC1=O)C(=O)[O-])[O-].[Ca+2]

PubChem CID

12001831

Molekulargewicht

250.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Vinylogous acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Vinylogous acids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Vinylogous acids
• Alternative Parents: Cyclic ketones Carboxylic acid salts Organic calcium salts Monocarboxylic acids and derivatives Enolates Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Vinylogous acid - Carboxylic acid salt - Cyclic ketone - Ketone - Carboxylic acid derivative - Organic calcium salt - Carboxylic acid - Enolate - Monocarboxylic acid or derivatives - Carbonyl group - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aliphatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as vinylogous acids. These are organic compounds containing a hydroxyl group, which is indirectly attached to a carbonyl via an intervening vinyl (>C=C<) moiety.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Molekulargewicht: 250.260 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 250.015 Da
• Monoisotopic Mass: 250.015 Da
• Topological Polar Surface Area: 97.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 327.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

Häufig gestellte Fragen

How should this product be stored?

Store at 2–8 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 127277-53-6, the molecular formula is C10H10CaO5, and the molecular weight is 250.26 g/mol. InChIKey NLKUPINTOLSSLD-UHFFFAOYSA-L.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.