Pranidipine - ≥99% , CAS No.99522-79-9

CAS: 99522-79-9 Cat. No.: P343454 分子式: C₂₅H₂₄N₂O₆ 分子量: 448.47 PubChem CID: 6436048

GRADE & PURITY ≥99%

Synonyms

AS-15993 | AKOS025311508 | D-PIPERITONE [FHFI] | OPC-13340 | HY-19664 | Acid Rose 6BL | (E)-Cinnamyl methyl (+-)-1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate | DTXSID8073976 | (Z)-3-Methyl 5-(3-phenylallyl) 2,6-dimethyl-4-(3-nitrop

Storage

Store at 2-8°C

Shipped In

Wet ice

概要

Pranidipine is a is a long-acting dihydropyridine calcium channel blocker antagonist for use as an antihypertensive agent. Pranidipine has a high affinity for Ca channels or for T-tubule membranes, and strongly supports the "membrane-bilayer pathway hypothesis" which assumes the partitioning of the drug into the lipid bilayer before binding to Ca channels as an explanation of its long-lasting action compared to other dihydropyridines.

Specifications

同義語

AS-15993 | AKOS025311508 | D-PIPERITONE [FHFI] | OPC-13340 | HY-19664 | Acid Rose 6BL | (E)-Cinnamyl methyl (+-)-1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate | DTXSID8073976 | (Z)-3-Methyl 5-(3-phenylallyl) 2,6-dimethyl-4-(3-nitrop

仕様と純度

≥99%

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥99%

名前と識別子

パブケム・シド

504764160

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504764160

カノニカル・スマイル

CC1=C(C(C(=C(N1)C)C(=O)OCC=CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

IUPAC Name

3-O-methyl 5-O-[(E)-3-phenylprop-2-enyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

InChIKey

XTFPDGZNWTZCMF-DHZHZOJOSA-N

INCHI

1S/C25H24N2O6/c1-16-21(24(28)32-3)23(19-12-7-13-20(15-19)27(30)31)22(17(2)26-16)25(29)33-14-8-11-18-9-5-4-6-10-18/h4-13,15,23,26H,14H2,1-3H3/b11-8+

異性体SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC/C=C/C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

PubChem CID

6436048

分子量

448.47

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Pyridines and derivatives
      • Subclass Hydropyridines
        • Level5 Dihydropyridines
          • Level6 Dihydropyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Pyridines and derivatives
• Subclass: Hydropyridines
• Intermediate Tree Nodes: Dihydropyridines
• Direct Parent: Dihydropyridinecarboxylic acids and derivatives
• Alternative Parents: Nitrobenzenes Styrenes Nitroaromatic compounds Dicarboxylic acids and derivatives Vinylogous amides Enoate esters Methyl esters Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Enamines Dialkylamines Organic oxoazanium compounds Carbonyl compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dihydropyridinecarboxylic acid derivative - Nitrobenzene - Nitroaromatic compound - Styrene - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Methyl ester - Vinylogous amide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Amino acid or derivatives - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Secondary aliphatic amine - Azacycle - Enamine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as dihydropyridinecarboxylic acids and derivatives. These are compounds containing a dihydropyridine moiety bearing a carboxylic acid group.
• 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

化学的性質と物理的性質

• 溶解度: Soluble in DMSO and Methanol
• 沸点（°C）: 618.9° C at 760 mmHg
• 融点（°C）: 140-146° C
• 分子量: 448.500 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 448.163 Da
• Monoisotopic Mass: 448.163 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 847.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1