e-6005 - ≥96% , Phosphodiesterase 4 inhibitor, CAS No.947620-48-6, Phosphodiesterase 4 inhibitor

CAS: 947620-48-6 Cat. No.: E178447 Summenformel: C₂₆H₂₄N₄O₅ Molekulargewicht: 472.501

GRADE & PURITY ≥96%

Synonyms

(Methyl 4-(((3-(6,7-dimethoxy-2-(methylamino)quinazolin-4-yl)phenyl(amino)carbonyl)benzoate | EX-A1382 | SPIUTQOUKAMGCX-UHFFFAOYSA-N | AS-52366 | DB12776 | MFCD28502071 | RVT-501 | AC-35466 | Methyl 4-((3-(6,7-dimethoxy-2-(methylamino)quinazolin-4-yl)phen

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Lotamilast (RVT-501, E6005) is a selective inhibitor of phosphodiesterase 4 (PDE4) with IC50 of 2.8 nM.   

Specifications

Synonyme

(Methyl 4-(((3-(6,7-dimethoxy-2-(methylamino)quinazolin-4-yl)phenyl(amino)carbonyl)benzoate | EX-A1382 | SPIUTQOUKAMGCX-UHFFFAOYSA-N | AS-52366 | DB12776 | MFCD28502071 | RVT-501 | AC-35466 | Methyl 4-((3-(6,7-dimethoxy-2-(methylamino)quinazolin-4-yl)phen

Spezifikationen & Reinheit

≥96%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Phosphodiesterase 4 inhibitor

Reinheit

≥96%

Produkteigenschaften

ALogP

4.2

Namen und Kennungen

Pubchem Sid

504769884

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504769884

Kanonisches Lächeln

CNC1=NC2=CC(=C(C=C2C(=N1)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)C(=O)OC)OC)OC

IUPAC Name

methyl 4-[[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]carbamoyl]benzoate

InChIKey

BBTFKAOFCSOZMB-UHFFFAOYSA-N

INCHI

1S/C26H24N4O5/c1-27-26-29-20-14-22(34-3)21(33-2)13-19(20)23(30-26)17-6-5-7-18(12-17)28-24(31)15-8-10-16(11-9-15)25(32)35-4/h5-14H,1-4H3,(H,28,31)(H,27,29,30)

Isomere SMILES

CNC1=NC2=CC(=C(C=C2C(=N1)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)C(=O)OC)OC)OC

Molekulargewicht

472.501

Reaxy-Rn

13044826

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13044826&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Anilides
        • Ebene5 Aromatic anilides
          • Ebene6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Phenylpyrimidines Quinazolinamines Benzoic acid esters Benzamides Benzoyl derivatives Anisoles Aminopyrimidines and derivatives Alkyl aryl ethers Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzanilide - 4-phenylpyrimidine - Quinazolinamine - Benzoate ester - Quinazoline - Benzamide - Benzoic acid or derivatives - Anisole - Benzoyl - Phenol ether - Aminopyrimidine - Alkyl aryl ether - Pyrimidine - Methyl ester - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : ≥ 100 mg/mL (211.64 mM)
• Molekulargewicht: 472.500 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 472.175 Da
• Monoisotopic Mass: 472.175 Da
• Topological Polar Surface Area: 112.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 716.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 947620-48-6, the molecular formula is C26H24N4O5, and the molecular weight is 472.501 g/mol. InChIKey BBTFKAOFCSOZMB-UHFFFAOYSA-N.

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.