AZD3264 - ≥98% , CAS No.1609281-86-8

CAS: 1609281-86-8 Cat. No.: A413854 Fórmula: C₂₁H₂₃N₅O₄S Peso molecular: 441.5 PubChem CID: 91666658

GRADE & PURITY ≥98%

Synonyms

HY-19362 | CCG-269140 | NCGC00481403-01 | AC-33125 | 2-(carbamoylamino)-5-[4-(dimethyl-1,2-oxazol-4-yl)-2-[(3S)-pyrrolidin-3-yloxy]phenyl]thiophene-3-carboxamide | 1609281-86-8 | 2TT3S8GPB7 | C73048 | s7851 | AKOS030526605 | (S)-5-(4-(3,5-dimethylisoxazol

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Information

AZD3264 is a novelIKK2inhibitor.

Targets

IKK2

In vitro

AZD3264, by inhibiting IKK2, prevents inflammatory conditions such as asthma, chronic pulmonary obstructive disorder (COPD) and rheumatoid arthritis.

Specifications

Sinónimos

HY-19362 | CCG-269140 | NCGC00481403-01 | AC-33125 | 2-(carbamoylamino)-5-[4-(dimethyl-1,2-oxazol-4-yl)-2-[(3S)-pyrrolidin-3-yloxy]phenyl]thiophene-3-carboxamide | 1609281-86-8 | 2TT3S8GPB7 | C73048 | s7851 | AKOS030526605 | (S)-5-(4-(3,5-dimethylisoxazol

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

AZD3264 is a novel IKK2 inhibitor.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Propriedades do produto

• ALogP: 1.235
• Contagem HBD: 4
• Ligação rotativa: 6

Nomes e identificadores

• Pubchem Sid: 504772643
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772643
• Sorrisos canónicos: CC1=C(C(=NO1)C)C2=CC(=C(C=C2)C3=CC(=C(S3)NC(=O)N)C(=O)N)OC4CCNC4
• IUPAC Name: 2-(carbamoylamino)-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]oxyphenyl]thiophene-3-carboxamide
• InChIKey: NMFIXEFNQPDISY-ZDUSSCGKSA-N
• INCHI: 1S/C21H23N5O4S/c1-10-18(11(2)30-26-10)12-3-4-14(16(7-12)29-13-5-6-24-9-13)17-8-15(19(22)27)20(31-17)25-21(23)28/h3-4,7-8,13,24H,5-6,9H2,1-2H3,(H2,22,27)(H3,23,25,28)/t13-/m0/s1
• SMILES isoméricas: CC1=C(C(=NO1)C)C2=CC(=C(C=C2)C3=CC(=C(S3)NC(=O)N)C(=O)N)O[C@H]4CCNC4
• PubChem CID: 91666658
• Peso molecular: 441.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Thiophenes
      • Subclass Thiophene carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Thiophenes
• Subclass: Thiophene carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiophene carboxamides
• Alternative Parents: Phenoxy compounds Phenol ethers 2,3,5-trisubstituted thiophenes Alkyl aryl ethers Vinylogous amides Pyrrolidines Isoxazoles Heteroaromatic compounds Ureas Primary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Dialkylamines Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic anions
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - 2,3,5-trisubstituted thiophene - Thiophene carboxamide - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Isoxazole - Vinylogous amide - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Urea - Primary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Secondary aliphatic amine - Ether - Azacycle - Secondary amine - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic anion - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as thiophene carboxamides. These are compounds containing a thiophene ring which bears a carboxamide.
• 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

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

• Solubilidade: Solubility (25°C) In vitro DMSO: 88 mg/mL (199.32 mM); Ethanol: 2 mg/mL warmed with 50ºC Water: bath (4.53 mM); Water: Insoluble
• DMSO (mg/mL) Solubilidade máxima: 88
• DMSO (mM) Solubilidade máxima: 199.3204983
• Água (mg/mL) Solubilidade máxima: ＜1
• Peso molecular: 441.500 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 441.147 Da
• Monoisotopic Mass: 441.147 Da
• Topological Polar Surface Area: 174.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 670.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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