ON 146040 - Moligand™,≥95% , CAS No.1404231-34-0

CAS: 1404231-34-0 Cat. No.: O650699 Formula: C₂₄H₂₃N₇O₃S Molecular Weight: 489.55 PubChem CID: 73297262

GRADE & PURITY Moligand™, ≥95%

Synonyms

2-((4-(4-Methylpiperazin-1-yl)phenyl)amino)-7-(4-nitrobenzylidene)-5H-pyrimido[4,5-b][1,4]thiazin-6(7H)-one

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Overview

ON 146040 is a potent PI3Kα and PI3Kδ (IC50≈14 and 20 nM, respectively) inhibitor. ON 146040 also inhibits Abl1 (IC50<150 nM).

Specifications

Synonyms

2-((4-(4-Methylpiperazin-1-yl)phenyl)amino)-7-(4-nitrobenzylidene)-5H-pyrimido[4,5-b][1,4]thiazin-6(7H)-one

Specifications & Purity

Moligand™,≥95%

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

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

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥95%

Names and Identifiers

Canonical Smiles

CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)SC(=CC5=CC=C(C=C5)[N+](=O)[O-])C(=O)N4

IUPAC Name

(7Z)-2-[4-(4-methylpiperazin-1-yl)anilino]-7-[(4-nitrophenyl)methylidene]-5H-pyrimido[4,5-b][1,4]thiazin-6-one

InChIKey

PKCHFYZACODWAI-STZFKDTASA-N

INCHI

1S/C24H23N7O3S/c1-29-10-12-30(13-11-29)18-8-4-17(5-9-18)26-24-25-15-20-23(28-24)35-21(22(32)27-20)14-16-2-6-19(7-3-16)31(33)34/h2-9,14-15H,10-13H2,1H3,(H,27,32)(H,25,26,28)/b21-14-

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)S/C(=C\C5=CC=C(C=C5)[N+](=O)[O-])/C(=O)N4

PubChem CID

73297262

Molecular Weight

489.55

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 Nitrobenzenes Aniline and substituted anilines Aryl thioethers Nitroaromatic compounds Dialkylarylamines Aminopyrimidines and derivatives N-methylpiperazines 1,4-thiazines Heteroaromatic compounds Trialkylamines Thioenol ethers Secondary carboxylic acid amides Amino acids and derivatives Lactams Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic oxides Organic zwitterions Organic salts Carbonyl compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aminopyrimidine - N-methylpiperazine - N-alkylpiperazine - Para-thiazine - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Lactam - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Tertiary amine - Thioenolether - Tertiary aliphatic amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic 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

Chemical and Physical Properties

• Molecular Weight: 489.600 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 489.158 Da
• Monoisotopic Mass: 489.158 Da
• Topological Polar Surface Area: 145.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 784.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at 2–8 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships chilled on wet ice. 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 1404231-34-0, the molecular formula is C24H23N7O3S, and the molecular weight is 489.55 g/mol. InChIKey PKCHFYZACODWAI-STZFKDTASA-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.