PZ-2891 - ≥98% , CAS No.2170608-82-7

CAS: 2170608-82-7 Cat. No.: P412551 分子式: C₂₀H₂₃N₅O 分子量: 349.43 PubChem CID: 132260806

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Information

PZ-2891 is a selective, orally active and brain-penetrant pantothenate kinase (PANK) modulator that acts as an orthosteric inhibitor at high concentrations and an allosteric activator at lower sub-saturating concentrations. PZ-2891 inhibits PANK with IC50 of 40.2 nM, 0.7 nM and 1.3 nM for hPANK1β, hPANK2, and hPANK3, respectively.

Specifications

仕様と純度

≥98%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

製品の性質

ALogP

3.33

回転可能な結合

4

名前と識別子

パブケム・シド

504773112

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504773112

カノニカル・スマイル

CC(C)C1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=NN=C(C=C3)C#N

IUPAC Name

6-[4-[2-(4-propan-2-ylphenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile

InChIKey

LGWDVWIZDPGCFG-UHFFFAOYSA-N

INCHI

1S/C20H23N5O/c1-15(2)17-5-3-16(4-6-17)13-20(26)25-11-9-24(10-12-25)19-8-7-18(14-21)22-23-19/h3-8,15H,9-13H2,1-2H3

異性体SMILES

CC(C)C1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=NN=C(C=C3)C#N

PubChem CID

132260806

分子量

349.43

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylpiperazines
• Alternative Parents: Phenylacetamides Monocyclic monoterpenoids Aromatic monoterpenoids Phenylpropanes Cumenes Dialkylarylamines Aminopyridazines Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-arylpiperazine - Phenylacetamide - Monoterpenoid - Monocyclic monoterpenoid - Aromatic monoterpenoid - P-cymene - Phenylpropane - Cumene - Dialkylarylamine - Aminopyridazine - Imidolactam - Benzenoid - Pyridazine - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Azacycle - Nitrile - Carbonitrile - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: 70 mg/mL(200.33 mM) in DMSO；1.5 mg/mL (4.29 mM) in Ethanol；Water（Insoluble）
• DMSO（mg / mL） 最大溶解度: 70
• DMSO（mM） 最大溶解度: 200.326245599977
• 水（mg / mL） 最大溶解度: ＜1
• 分子量: 349.400 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 349.19 Da
• Monoisotopic Mass: 349.19 Da
• Topological Polar Surface Area: 73.100 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 512.000
• 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

よくある質問

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. 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 2170608-82-7, the molecular formula is C20H23N5O, and the molecular weight is 349.43 g/mol. InChIKey LGWDVWIZDPGCFG-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.