LHC-165 - ≥98% , CAS No.1258595-14-0

CAS: 1258595-14-0 Cat. No.: L650554 Formula: C₂₉H₃₂F₂N₃O₇P Molecular Weight: 603.55 PubChem CID: 49838259

GRADE & PURITY ≥98%

Synonyms

LHC165 | LHC-165 | RD02U4QLM1 | 3-[5-amino-2-[2-[4-[2-(3,3-difluoro-3-phosphonopropoxy)ethoxy]-2-methylphenyl]ethyl]benzo[f][1,7]naphthyridin-8-yl]propanoic acid | SCHEMBL174281 | UNII-RD02U4QLM1 | Benzo(F)(1,7)naphthyridine-8-propanoic acid, 5-amino-2-(2

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

LHC-165 is a TLR7 agonist. LHC-165 has potential to used in study of solid tumors

Form:Solid

IC50& Target:TLR7

Specifications

Synonyms

LHC165 | LHC-165 | RD02U4QLM1 | 3-[5-amino-2-[2-[4-[2-(3,3-difluoro-3-phosphonopropoxy)ethoxy]-2-methylphenyl]ethyl]benzo[f][1,7]naphthyridin-8-yl]propanoic acid | SCHEMBL174281 | UNII-RD02U4QLM1 | Benzo(F)(1,7)naphthyridine-8-propanoic acid, 5-amino-2-(2

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

LHC-165 is a TLR7 agonist. LHC-165 has potential to used in study of solid tumors.

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

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

Action Type

AGONIST

Purity

≥98%

Names and Identifiers

Canonical Smiles

CC1=C(C=CC(=C1)OCCOCCC(F)(F)P(=O)(O)O)CCC2=CC3=C4C=CC(=CC4=NC(=C3N=C2)N)CCC(=O)O

IUPAC Name

3-[5-amino-2-[2-[4-[2-(3,3-difluoro-3-phosphonopropoxy)ethoxy]-2-methylphenyl]ethyl]benzo[f][1,7]naphthyridin-8-yl]propanoic acid

InChIKey

SDLWKRZBLTZSEL-UHFFFAOYSA-N

INCHI

1S/C29H32F2N3O7P/c1-18-14-22(41-13-12-40-11-10-29(30,31)42(37,38)39)7-6-21(18)5-2-20-15-24-23-8-3-19(4-9-26(35)36)16-25(23)34-28(32)27(24)33-17-20/h3,6-8,14-17H,2,4-5,9-13H2,1H3,(H2,32,34)(H,35,36)(H2,37,38,39)

Isomeric SMILES

CC1=C(C=CC(=C1)OCCOCCC(F)(F)P(=O)(O)O)CCC2=CC3=C4C=CC(=CC4=NC(=C3N=C2)N)CCC(=O)O

Alternate CAS

1258595-14-0

PubChem CID

49838259

Molecular Weight

603.55

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Aminoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Aminoquinolines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminoquinolines and derivatives
• Alternative Parents: Naphthyridines Phenoxy compounds Phenol ethers Toluenes Alkyl aryl ethers Aminopyridines and derivatives Imidolactams Organic phosphonic acids Heteroaromatic compounds Amino acids Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkyl ethers Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Organophosphorus compounds Alkyl fluorides Primary amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aminoquinoline - Naphthyridine - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aminopyridine - Toluene - Monocyclic benzene moiety - Pyridine - Imidolactam - Benzenoid - Organophosphonic acid - Organophosphonic acid derivative - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Azacycle - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organophosphorus compound - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Alkyl fluoride - Organofluoride - Carbonyl group - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Amine - Alkyl halide - Primary amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.
• 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: 1M NaOH : 50 mg/mL (82.84 mM; ultrasonic and adjust pH to 12 with NaOH)
• Molecular Weight: 603.500 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 14
• Exact Mass: 603.195 Da
• Monoisotopic Mass: 603.195 Da
• Topological Polar Surface Area: 165.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 928.000
• 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 ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 1258595-14-0, the molecular formula is C29H32F2N3O7P, and the molecular weight is 603.55 g/mol. InChIKey SDLWKRZBLTZSEL-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.