Y-320 - ≥98%(HPLC) , CAS No.288250-47-5

CAS: 288250-47-5 Cat. No.: Y405594 Molecular Weight: 505.02 EC Number: 878-936-1 PubChem CID: 22227931

GRADE & PURITY ≥98%(HPLC)

Synonyms

1-[(2-Fluorophenyl)(4-fluorophenyl)phenylmethyl]-1H-imidazole, AldrichCPR | 1-(4-CHLOROPHENYL)-N-(3-CYANO-4-(4-MORPHOLINOPIPERIDIN-1-YL)PHENYL)-5-METHYL-1H-PYRAZOLE-4-CARBOXAMID | 1-(4-chlorophenyl)-N-[3-cyano-4-(4-morpholinopiperidin-1-yl)phenyl]-5-methy

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

1-[(2-Fluorophenyl)(4-fluorophenyl)phenylmethyl]-1H-imidazole, AldrichCPR | 1-(4-CHLOROPHENYL)-N-(3-CYANO-4-(4-MORPHOLINOPIPERIDIN-1-YL)PHENYL)-5-METHYL-1H-PYRAZOLE-4-CARBOXAMID | 1-(4-chlorophenyl)-N-[3-cyano-4-(4-morpholinopiperidin-1-yl)phenyl]-5-methy

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Y-320 is a new phenylpyrazoleanilide immunomodulator; inhibits IL-17 production by CD4 T cells stimulated with IL-15 with IC50 values of 20 to 60 nM. IC50 value: 20-60 nM (IL-17 production) [1] Target: IL-17 Y-320 inhibited IL-17 production by CD4 T cells

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488200079
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200079
• Canonical Smiles: CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=C(C=C3)N4CCC(CC4)N5CCOCC5)C#N
• IUPAC Name: 1-(4-chlorophenyl)-N-[3-cyano-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-5-methylpyrazole-4-carboxamide
• InChIKey: BWZNJVZTAWBIFG-UHFFFAOYSA-N
• INCHI: 1S/C27H29ClN6O2/c1-19-25(18-30-34(19)24-5-2-21(28)3-6-24)27(35)31-22-4-7-26(20(16-22)17-29)33-10-8-23(9-11-33)32-12-14-36-15-13-32/h2-7,16,18,23H,8-15H2,1H3,(H,31,35)
• Isomeric SMILES: CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=C(C=C3)N4CCC(CC4)N5CCOCC5)C#N
• PubChem CID: 22227931
• Molecular Weight: 505.02
• Reaxy-Rn: 13170463

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic anilides
• Alternative Parents: Phenylpiperidines Phenylpyrazoles Aniline and substituted anilines Benzonitriles Dialkylarylamines Pyrazole-4-carboxamides Chlorobenzenes Aminopiperidines Morpholines Aryl chlorides Heteroaromatic compounds Vinylogous amides Amino acids and derivatives Trialkylamines Secondary carboxylic acid amides Oxacyclic compounds Nitriles Dialkyl ethers Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aromatic anilide - Phenylpiperidine - Phenylpyrazole - Benzonitrile - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Pyrazole-4-carboxamide - 4-aminopiperidine - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Morpholine - Oxazinane - Piperidine - Heteroaromatic compound - Azole - Vinylogous amide - Pyrazole - Carboxamide group - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Carbonitrile - Nitrile - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Cyanide - Amine - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl 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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 5.5 mg/mL (10.89 mM; Need ultrasonic)
• Sensitivity: Air Sensitive
• Melt Point(°C): 260 °C
• Molecular Weight: 505.000 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 504.204 Da
• Monoisotopic Mass: 504.204 Da
• Topological Polar Surface Area: 86.400 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 784.000
• 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: 1