Z 944 - Moligand™, ≥98%(HPLC) , Channel blocker of Ca v3.1;Channel blocker of Ca v3.2;Channel blocker of Ca v3.3, CAS No.1199236-64-0, Channel blocker of Ca v3.1;Channel blocker of Ca v3.2;Channel blocker of Ca v3.3

CAS: 1199236-64-0 Cat. No.: Z288507 Molecular Weight: 383.89 PubChem CID: 44540045

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

4-(((3-Chloro-5-fluorobenzoyl)amino)methyl)-N-(1,1-dimethylethyl)-1-piperidineacetamide | PRAX944 | PRAX-944 | PTFE rod, 3.18mm (0.125in) dia | BDBM50192689 | 1199236-64-0 | 4-[[(3-Chloro-5-fluorobenzoyl)amino)methyl]-N-(1,1-dimethylethyl)-1-piperidineace

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Product Introduction

Z944 is a T-type calcium channel blocker. Z944 delays the progression of seizures in the amygdala kindling model. Z944 disrupts prepulse inhibition in both epileptic and non-epileptic rats.

Specifications

Synonyms

4-(((3-Chloro-5-fluorobenzoyl)amino)methyl)-N-(1, 1-dimethylethyl)-1-piperidineacetamide | PRAX944 | PRAX-944 | PTFE rod, 3.18mm (0.125in) dia | BDBM50192689 | 1199236-64-0 | 4-[[(3-Chloro-5-fluorobenzoyl)amino)methyl]-N-(1, 1-dimethylethyl)-1-piperidineace

Specifications & Purity

Moligand™, ≥98%(HPLC)

Biochemical and Physiological Mechanisms

Selective T-type Ca2+channel blocker (IC50values are 50 to 160 nM for hCav3.1, hCav3.2 and hCav3.3). Exhibits 50 to 600 fold selectivity for Cav3.x channels over related ion channels (Cav1.2, hERG and Nav1.5). Has no effect on action potential properties

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

CHANNEL BLOCKER

Mechanism of action

Channel blocker of Ca v3.1;Channel blocker of Ca v3.2;Channel blocker of Ca v3.3

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504770363
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770363
• Canonical Smiles: CC(C)(C)NC(=O)CN1CCC(CC1)CNC(=O)C2=CC(=CC(=C2)Cl)F
• IUPAC Name: N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-chloro-5-fluorobenzamide
• InChIKey: JOCLITFYIMJMNK-UHFFFAOYSA-N
• INCHI: 1S/C19H27ClFN3O2/c1-19(2,3)23-17(25)12-24-6-4-13(5-7-24)11-22-18(26)14-8-15(20)10-16(21)9-14/h8-10,13H,4-7,11-12H2,1-3H3,(H,22,26)(H,23,25)
• Isomeric SMILES: CC(C)(C)NC(=O)CN1CCC(CC1)CNC(=O)C2=CC(=CC(=C2)Cl)F
• PubChem CID: 44540045
• Molecular Weight: 383.89

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: 3-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Chlorobenzenes Fluorobenzenes Aryl chlorides Piperidines Aryl fluorides Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organochlorides Organofluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid amide - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Piperidine - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Organofluoride - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• 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)

CACNA1H Tclin Voltage-dependent T-type calcium channel subunit alpha-1H (3 Activities)

Discover Target: CACNA1H

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CACNA1G Tclin Voltage-dependent T-type calcium channel subunit alpha-1G (3 Activities)

Discover Target: CACNA1G

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CACNA1I Tclin Voltage-dependent T-type calcium channel subunit alpha-1I (3 Activities)

Discover Target: CACNA1I

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CACNA1H Tclin Voltage-gated T-type calcium channel alpha-1H subunit (1913 Activities)

Discover Target: CACNA1H

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

Associated Targets(non-human)

Cacna1g Voltage-gated T-type calcium channel alpha-1G subunit (1 Activities)

Discover Target: Cacna1g

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 38.39, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 38.39, Max Conc. mM: 100
• Melt Point(°C): 122-124°C
• Molecular Weight: 383.900 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 383.178 Da
• Monoisotopic Mass: 383.178 Da
• Topological Polar Surface Area: 61.400 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 490.000
• 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