L-778123 hydrochloride - Moligand™, ≥98% , CAS No.253863-00-2

CAS: 253863-00-2 Cat. No.: L650426 Molecular Weight: 442.34 PubChem CID: 216453

GRADE & PURITY Moligand™, ≥98%

Synonyms

FT-0700272 | 4-[(5-{[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl}-1H-imidazol-1-yl)methyl]benzonitrile hydrochloride | L-778,123 hydrochloride | Benzonitrile, 4-((5-((4-(3-chlorophenyl)-3-oxo-1-piperazinyl)methyl)-1H-imidazol-1-yl)methyl)-, monohydrochl

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

L-778123 hydrochloride is an inhibitor of FPTase and GGPTase-I with IC50 of 2 nM and 98 nM in enzyme inhibition determination.IC50 value: 2 nM Target: FPTasein vitro: L-778123 can completely inhibit Ki-Ras prenylation.L-778123 as a farnesyltransferase inhibitor can have a good cytotoxic activity as a classic anti-cancer agent.in vivo: In the dog model, L-778123 inhibits HDJ2 prenylation and produces measurable, albeit slight (5%), levels of unprenylatedRap1A in PBMCs.

Form:Solid

Specifications

Synonyms

FT-0700272 | 4-[(5-{[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl}-1H-imidazol-1-yl)methyl]benzonitrile hydrochloride | L-778, 123 hydrochloride | Benzonitrile, 4-((5-((4-(3-chlorophenyl)-3-oxo-1-piperazinyl)methyl)-1H-imidazol-1-yl)methyl)-, monohydrochl

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

L-778123 hydrochloride is an inhibitor of FPTase and GGPTase-I with IC50 of 2 nM and 98 nM in enzyme inhibition determination.\nIC50 value: 2 nM \nTarget: FPTase\nin vitro: L-778123 can completely inhibit Ki-Ras prenylation.L-778123 as a farnesylt

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

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

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CN(C(=O)CN1CC2=CN=CN2CC3=CC=C(C=C3)C#N)C4=CC(=CC=C4)Cl.Cl
• IUPAC Name: 4-[[5-[[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride
• InChIKey: YNBSQYGTJLIPJS-UHFFFAOYSA-N
• INCHI: 1S/C22H20ClN5O.ClH/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18;/h1-7,10,12,16H,8-9,13-15H2;1H
• Isomeric SMILES: C1CN(C(=O)CN1CC2=CN=CN2CC3=CC=C(C=C3)C#N)C4=CC(=CC=C4)Cl.Cl
• Alternate CAS: 253863-00-2
• PubChem CID: 216453
• MeSH Entry Terms: L 778,123;L-778,123;L778123
• Molecular Weight: 442.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Alpha amino acids and derivatives Benzonitriles Aralkylamines N-alkylpiperazines Chlorobenzenes Aryl chlorides N-substituted imidazoles Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Lactams Nitriles Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organochlorides Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Alpha-amino acid or derivatives - Benzonitrile - Halobenzene - Chlorobenzene - N-alkylpiperazine - Aralkylamine - Aryl chloride - Aryl halide - N-substituted imidazole - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Imidazole - Tertiary carboxylic acid amide - Azole - Amino acid or derivatives - Lactam - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Nitrile - Azacycle - Carboxylic acid derivative - Carbonitrile - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound 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)

HepG2 (196354 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : ≥ 25 mg/mL (56.52 mM) H2O : 25 mg/mL (56.52 mM; Need ultrasonic)
• Sensitivity: Moisture sensitive.
• Molecular Weight: 442.300 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 441.112 Da
• Monoisotopic Mass: 441.112 Da
• Topological Polar Surface Area: 65.200 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 614.000
• 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: 2

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