Cinepazide - ≥98% , CAS No.23887-46-9

CAS: 23887-46-9 Cat. No.: C344176 Fórmula: C₂₂H₃₁N₃O₅ Peso molecular: 417.5

GRADE & PURITY ≥98%

Synonyms

NCGC00181123-04 | Piperazine, 1-((1-pyrrolidinylcarbonyl)methyl)-4-(3,4,5-trimethoxycinnamoyl)- | MFCD00868266 | Piperazine, 1-(2-oxo-2-(1-pyrrolidinyl)ethyl)-4-(1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)- | AKOS025149472 | 2-Propen-1-one,1-[4-[2-oxo-2-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

NCGC00181123-04 | Piperazine, 1-((1-pyrrolidinylcarbonyl)methyl)-4-(3,4,5-trimethoxycinnamoyl)- | MFCD00868266 | Piperazine, 1-(2-oxo-2-(1-pyrrolidinyl)ethyl)-4-(1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)- | AKOS025149472 | 2-Propen-1-one,1-[4-[2-oxo-2-

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Propriedades do produto

• ALogP: 1.5

Nomes e identificadores

• Pubchem Sid: 488195265
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195265
• Sorrisos canónicos: COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCN(CC2)CC(=O)N3CCCC3
• IUPAC Name: (E)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
• InChIKey: RCUDFXMNPQNBDU-VOTSOKGWSA-N
• INCHI: 1S/C22H31N3O5/c1-28-18-14-17(15-19(29-2)22(18)30-3)6-7-20(26)25-12-10-23(11-13-25)16-21(27)24-8-4-5-9-24/h6-7,14-15H,4-5,8-13,16H2,1-3H3/b7-6+
• SMILES isoméricas: COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCN(CC2)CC(=O)N3CCCC3
• Peso molecular: 417.5
• Reaxy-Rn: 903854
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=903854&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Cinnamic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Cinnamic acids and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamic acids and derivatives
• Alternative Parents: Alpha amino acids and derivatives N-piperazineacetamides Anisoles Styrenes Phenoxy compounds Methoxybenzenes N-acylpyrrolidines Alkyl aryl ethers N-alkylpiperazines Tertiary carboxylic acid amides Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Cinnamic acid or derivatives - Alpha-amino acid or derivatives - N-piperazineacetamide - Phenoxy compound - Anisole - N-acylpyrrolidine - Methoxybenzene - Phenol ether - Styrene - Alkyl aryl ether - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Pyrrolidine - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Organoheterocyclic compound - Azacycle - Ether - Carboxylic acid derivative - Amine - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
• 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

Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de ebulição (°C): ~637.8° C at 760 mmHg (Predicted)
• Ponto de fusão (°C): 236.31° C (Predicted)
• Peso molecular: 417.500 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 417.226 Da
• Monoisotopic Mass: 417.226 Da
• Topological Polar Surface Area: 71.600 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 586.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1