RIG-1 modulator 1 - ≥99% , CAS No.1428729-63-8

CAS: 1428729-63-8 Cat. No.: R649581 Formula: C₁₄H₁₇N₅OS₂ Molecular Weight: 335.45 PubChem CID: 71549283

GRADE & PURITY ≥99%

Synonyms

MS-25078 | SCHEMBL14847476 | 1-[2-(dimethylamino)ethyl]-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea | N-[2-(Dimethylamino)ethyl]-N'-(7-methylbenzo[1,2-d:3,4-d']bisthiazol-2-yl)urea | HY-107902 | 1428729-63-8 | RIG-1 modulator 1 | DTXSID101

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

RIG-1 modulator 1 is an anti-viral compound which can be useful for the treatment of viral infections including influenza virus , HBV , HCV and HIV extracted from patent WO 2015172099 A1.

Form:Solid

IC50& Target:Influenza virus, HBV, HCV, HIV

Specifications

Synonyms

MS-25078 | SCHEMBL14847476 | 1-[2-(dimethylamino)ethyl]-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea | N-[2-(Dimethylamino)ethyl]-N'-(7-methylbenzo[1,2-d:3,4-d']bisthiazol-2-yl)urea | HY-107902 | 1428729-63-8 | RIG-1 modulator 1 | DTXSID101

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

RIG-1 modulator 1 is an anti-viral compound which can be useful for the treatment of viral infections including influenza virus , HBV , HCV and HIV extracted from patent WO 2015172099 A1.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC1=NC2=C(S1)C=CC3=C2SC(=N3)NC(=O)NCCN(C)C
• IUPAC Name: 1-[2-(dimethylamino)ethyl]-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea
• InChIKey: HORUPPJGOWQYBQ-UHFFFAOYSA-N
• INCHI: 1S/C14H17N5OS2/c1-8-16-11-10(21-8)5-4-9-12(11)22-14(17-9)18-13(20)15-6-7-19(2)3/h4-5H,6-7H2,1-3H3,(H2,15,17,18,20)
• Isomeric SMILES: CC1=NC2=C(S1)C=CC3=C2SC(=N3)NC(=O)NCCN(C)C
• Alternate CAS: 1428729-63-8
• PubChem CID: 71549283
• Molecular Weight: 335.45

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Benzenoids Thiazoles Heteroaromatic compounds Ureas Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - Benzenoid - Azole - Thiazole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Urea - Azacycle - Organic oxide - Amine - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
• 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

Chemical and Physical Properties

• Solubility: DMSO : ≥ 35 mg/mL (104.34 mM)
• Molecular Weight: 335.500 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 335.087 Da
• Monoisotopic Mass: 335.087 Da
• Topological Polar Surface Area: 127.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 411.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥99% 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 1428729-63-8, the molecular formula is C14H17N5OS2, and the molecular weight is 335.45 g/mol. InChIKey HORUPPJGOWQYBQ-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.