KIN1148 - ≥98% , CAS No.1428729-56-9

CAS: 1428729-56-9 Cat. No.: K412302 Formula: C₁₉H₁₁N₃OS₂ Peso molecolare: 361.44

QUALITÀ & PUREZZA ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

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.

Specifiche

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

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.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

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

Tipo di azione

INHIBITOR

Purezza

≥98%

Proprietà del prodotto

ALogP

4.232

hba_count

3

Conteggio HBD

1

Legame rotabile

2

Nomi e identificatori

Pubchem Sid

504772155

Pubchem Sid Url

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

Sorrisi canonici

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)

Isomeri SMILES

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

Peso molecolare

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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Solubility (25°C) In vitro DMSO: 10.5 mg/mL warmed with 50ºC Water: bath (29.05 mM); Water: Insoluble; Ethanol: Insoluble
• Sensibilità: Sensitive to light
• DMSO (mg/mL) Solubilità massima: 84
• DMSO (mM) Solubilità massima: 232.403718459495
• Acqua (mg/mL) Solubilità massima: ＜1
• Peso molecolare: 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