KIN1148 - ≥98% , CAS No.1428729-56-9

CAS: 1428729-56-9 Cat. No.: K412302 Formule: C₁₉H₁₁N₃OS₂ Poids moléculaire: 361.44

QUALITÉ & PURETÉ ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Information

KIN1148 KIN1148 is an agonist of interferon regulatory factor 3 (IRF3) that induces dose-dependent IRF3 nuclear translocation and specific activation of IRF3-responsive promoters. KIN1148 is an influenza vaccine adjuvant that enhances flu vaccine efficacy.

Spécifications

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

KIN1148 is an agonist of interferon regulatory factor 3 (IRF3) that induces dose-dependent IRF3 nuclear translocation and specific activation of IRF3-responsive promoters. KIN1148 is an influenza vaccine adjuvant that enhances flu vaccine efficacy.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Pureté

≥98%

Propriétés du produit

ALogP

4.232

hba_count

3

Nombre de HBD

1

Liaison rotative

2

Noms et identifiants

Pubchem Sid

504772155

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504772155

Sourires canoniques

C1=CC=C2C=C(C=CC2=C1)C(=O)NC3=NC4=C(S3)C5=C(C=C4)SC=N5

IUPAC Name

N-([1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)naphthalene-2-carboxamide

InChIKey

YAISOECYKYATLL-UHFFFAOYSA-N

INCHI

1S/C19H11N3OS2/c23-18(13-6-5-11-3-1-2-4-12(11)9-13)22-19-21-14-7-8-15-16(17(14)25-19)20-10-24-15/h1-10H,(H,21,22,23)

Isomères SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)NC3=NC4=C(S3)C5=C(C=C4)SC=N5

Poids moléculaire

361.44

Reaxy-Rn

27105169

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27105169&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes
      • Subclass Naphthalenecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Naphthalenecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenecarboxamides
• Alternative Parents: Benzothiazoles Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-naphthalenecarboxamide - 1,3-benzothiazole - Azole - Thiazole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenecarboxamides. These are compounds containing a naphthalene moiety, which bears a carboxylic acid amide group at one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene rings.
• 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

Propriétés chimiques et physiques

• Solubilité: Solubility (25°C) In vitro DMSO: 10.5 mg/mL warmed with 50ºC Water: bath (29.05 mM); Water: Insoluble; Ethanol: Insoluble
• Sensibilité: Sensitive to light
• DMSO (mg/mL) Solubilité maximale: 84
• DMSO (mM) Solubilité maximale: 232.403718459495
• Eau (mg/mL) Solubilité maximale: ＜1
• Poids moléculaire: 361.400 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 361.034 Da
• Monoisotopic Mass: 361.034 Da
• Topological Polar Surface Area: 111.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 519.000
• 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