Cyclic Pifithrin-α Hydrobromide - ≥98%(HPLC) , CAS No.511296-88-1

CAS: 511296-88-1 Cat. No.: C153993 Formula: C₁₆H₁₆N₂S·HBr Molecular Weight: 349.29

GRADE & PURITY ≥98%(HPLC)

Synonyms

2-(p-tolyl)-5,6,7,8-tetrahydrobenzo[d]imidazo[2,1-b]thiazole HBr | Cyclic Pifithrin-? hydrobromide | A hydrobromide;Cyclic PFT- | AfAE'Adaggeratrade markAfA centA centasA notA em leaderA inverted exclamation mark (hydrobromide) | Cyclic Pifithrin- alpha h

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Cyclic Pifithrin-α hydrobromide has been used as p53 inhibitor to study its role in cigarette smoke−induced apoptosis of pulmonary endothelial cells.

Specifications

Synonyms

2-(p-tolyl)-5,6,7,8-tetrahydrobenzo[d]imidazo[2,1-b]thiazole HBr | Cyclic Pifithrin-? hydrobromide | A hydrobromide;Cyclic PFT- | AfAE'Adaggeratrade markAfA centA centasA notA em leaderA inverted exclamation mark (hydrobromide) | Cyclic Pifithrin- alpha h

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Stable, cell-permeable analog of pifithrin-α. Inhibits p53-mediated apoptosis and p53-dependent gene transcription. Prevents dexamethasone-induced cell death in murine thymocytes (EC 50 = 2.01 μM). Potent STAT6 transcriptional inhibitor.

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

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

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%(HPLC)

Names and Identifiers

Pubchem Sid

504766502

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504766502

Canonical Smiles

CC1=CC=C(C=C1)C2=CN3C4=C(CCCC4)SC3=N2.Br

IUPAC Name

2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole;hydrobromide

InChIKey

SGNCOAOESGSEOP-UHFFFAOYSA-N

INCHI

1S/C16H16N2S.BrH/c1-11-6-8-12(9-7-11)13-10-18-14-4-2-3-5-15(14)19-16(18)17-13;/h6-10H,2-5H2,1H3;1H

Isomeric SMILES

CC1=CC=C(C=C1)C2=CN3C4=C(CCCC4)SC3=N2.Br

WGK Germany

3

Molecular Weight

349.29

Reaxy-Rn

10212204

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10212204&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Phenylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Phenylimidazoles
• Alternative Parents: Toluenes N-substituted imidazoles Thiazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Hydrobromides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-phenylimidazole - 5-phenylimidazole - Toluene - Benzenoid - N-substituted imidazole - Monocyclic benzene moiety - Heteroaromatic compound - Thiazole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Hydrobromide - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
• 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(non-human)

Mus musculus (284745 Activities)

Explore this target

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

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

• Sensitivity: Air sensitive ，Heat sensitive ， Light sensitive
• Molecular Weight: 349.300 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 348.03 Da
• Monoisotopic Mass: 348.03 Da
• Topological Polar Surface Area: 45.500 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 327.000
• 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

XLogP3

Frequently Asked Questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 511296-88-1, the molecular formula is C16H16N2S·HBr, and the molecular weight is 349.29 g/mol. InChIKey SGNCOAOESGSEOP-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.