LHF-535 - Moligand™, ≥97% , CAS No.1450929-77-7

CAS: 1450929-77-7 Cat. No.: L648066 Formula: C₂₇H₂₈N₂O₂ Molecular Weight: 412.52 PubChem CID: 71711529

GRADE & PURITY Moligand™, ≥97%

Synonyms

LHF-535 | Benzenemethanol, alpha,alpha-dimethyl-4-((1Z)-2-(1-(4-(1-methylethoxy)phenyl)-1H-benzimidazol-5-yl)ethenyl)- | UNII-BET7FM8SQG | (Z)-2-(4-(2-(1-(4-Isopropoxyphenyl)-1H-benzo[d]imidazol-5-yl)vinyl)phenyl)propan-2-ol | 2-[4-[(Z)-2-[1-(4-propan-2-y

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

LHF-535 is an antiviral agent extracted from patent WO2013123215A2, Compound 38, has EC50s of <1 μM, <1 μM, <1 μM, and 1-10 μM for Lassa, Machupo, Junin, and VSVg virus, respectively.

Specifications

Synonyms

LHF-535 | Benzenemethanol, alpha,alpha-dimethyl-4-((1Z)-2-(1-(4-(1-methylethoxy)phenyl)-1H-benzimidazol-5-yl)ethenyl)- | UNII-BET7FM8SQG | (Z)-2-(4-(2-(1-(4-Isopropoxyphenyl)-1H-benzo[d]imidazol-5-yl)vinyl)phenyl)propan-2-ol | 2-[4-[(Z)-2-[1-(4-propan-2-y

Specifications & Purity

Moligand™, ≥97%

Biochemical and Physiological Mechanisms

LHF-535 is an antiviral agent extracted from patent WO2013123215A2, Compound 38, has EC 50 s of <1 μM, <1 μM, <1 μM, and 1-10 μM for Lassa, Machupo, Junin, and VSVg virus, respectively.

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.

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥97%

Names and Identifiers

Canonical Smiles

CC(C)OC1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)C=CC4=CC=C(C=C4)C(C)(C)O

IUPAC Name

2-[4-[(Z)-2-[1-(4-propan-2-yloxyphenyl)benzimidazol-5-yl]ethenyl]phenyl]propan-2-ol

InChIKey

DBNZTRPIBJSUIX-WAYWQWQTSA-N

INCHI

1S/C27H28N2O2/c1-19(2)31-24-14-12-23(13-15-24)29-18-28-25-17-21(9-16-26(25)29)6-5-20-7-10-22(11-8-20)27(3,4)30/h5-19,30H,1-4H3/b6-5-

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)/C=C\C4=CC=C(C=C4)C(C)(C)O

Alternate CAS

1450929-77-7

PubChem CID

71711529

Molecular Weight

412.52

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzimidazoles
      • Subclass Phenylbenzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzimidazoles
• Subclass: Phenylbenzimidazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbenzimidazoles
• Alternative Parents: Stilbenes Phenylimidazoles Phenylpropanes Styrenes Phenoxy compounds Phenol ethers Alkyl aryl ethers N-substituted imidazoles Tertiary alcohols Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylbenzimidazole - Stilbene - 1-phenylimidazole - Phenylpropane - Phenoxy compound - Phenol ether - Styrene - Alkyl aryl ether - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Heteroaromatic compound - Imidazole - Azole - Tertiary alcohol - Azacycle - Ether - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Alcohol - Aromatic alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached to a phenyl group.
• 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

Associated Targets(Human)

HEK293 (82097 Activities)

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Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 96.67 mg/mL (234.34 mM; Need ultrasonic)
• Molecular Weight: 412.500 g/mol
• XLogP3: 5.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 412.215 Da
• Monoisotopic Mass: 412.215 Da
• Topological Polar Surface Area: 47.300 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 588.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1