CID-2011756 - 10mM in DMSO , CAS No.638156-11-3

CAS: 638156-11-3 Cat. No.: C580331 Formula: C₂₂H₂₁ClN₂O₃ Peso molecolare: 396.87 Numero EC: 804-083-1

GRADE & PURITY 10mM in DMSO

Synonyms

FT-0700346 | 5-(3-Chloro-phenyl)-furan-2-carboxylic acid (4-morpholin-4-ylmethyl-phenyl)-amide | MLS000557592 | BDBM32341 | 5-(3-chlorophenyl)-N-(4-(morpholinomethyl)phenyl)furan-2-carboxamide | CID2011756 | CID-2011756 | SCHEMBL17373218 | MFCD04094273 |

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinonimi

FT-0700346 | 5-(3-Chloro-phenyl)-furan-2-carboxylic acid (4-morpholin-4-ylmethyl-phenyl)-amide | MLS000557592 | BDBM32341 | 5-(3-chlorophenyl)-N-(4-(morpholinomethyl)phenyl)furan-2-carboxamide | CID2011756 | CID-2011756 | SCHEMBL17373218 | MFCD04094273 |

Specifiche e purezza

10mM in DMSO

Meccanismi biochimici e fisiologici

Protein kinase D (PKD) inhibitor (IC50values are 0.6, 0.7 and 3.2μM for PKD2, PKD3 and PKD1 respectively). Cell permeable (EC50= 10μM for PKD1 inhibition). ATP-competitive.CID-2011756 is a cell-active ATP competitive and specific PKD1 inhibitor that inhib

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Nomi e identificatori

• Sorrisi canonici: C1COCCN1CC2=CC=C(C=C2)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)Cl
• IUPAC Name: 5-(3-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide
• InChIKey: XQJWTJLJEYIUDZ-UHFFFAOYSA-N
• INCHI: 1S/C22H21ClN2O3/c23-18-3-1-2-17(14-18)20-8-9-21(28-20)22(26)24-19-6-4-16(5-7-19)15-25-10-12-27-13-11-25/h1-9,14H,10-13,15H2,(H,24,26)
• Isomeri SMILES: C1COCCN1CC2=CC=C(C=C2)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)Cl
• WGK Germania: 3
• Peso molecolare: 396.87
• Reaxy-Rn: 29424912
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29424912&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Furanilides
            • Level7 2-furanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides - Furanilides
• Direct Parent: 2-furanilides
• Alternative Parents: Phenylmethylamines 2-heteroaryl carboxamides Benzylamines Furoic acid and derivatives Aralkylamines Chlorobenzenes Aryl chlorides Morpholines Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic oxides Organopnictogen compounds Hydrocarbon derivatives Organochlorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-furanilide - 2-heteroaryl carboxamide - Furoic acid or derivatives - Benzylamine - Phenylmethylamine - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Morpholine - Oxazinane - Furan - Heteroaromatic compound - Tertiary amine - Secondary carboxylic acid amide - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Azacycle - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organooxygen compound - Amine - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 2-furanilides. These are aromatic heterocyclic compounds contaning a furan ring that is substituted at the 2-position with an anilide.
• 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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solvent:DMSO, Max Conc. mg/mL: 19.84, Max Conc. mM: 50；≥39.7 mg/mL in DMSO with gentle warming; insoluble in H2O; ≥2.34 mg/mL in EtOH with gentle warming and ultrasonic
• Peso molecolare: 396.900 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 396.124 Da
• Monoisotopic Mass: 396.124 Da
• Topological Polar Surface Area: 54.700 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 506.000
• 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