Pifithrin-α (PFTα) - 10mM in DMSO , CAS No.63208-82-2

CAS: 63208-82-2 Cat. No.: P425202 Molecular Weight: 367.3

GRADE & PURITY 10mM in DMSO

Synonyms

A) HBr | Pifithrin-a hydrobromide | La2(CO3)3 | 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylphenyl)ethanone,hydrobromide | lithiumhydroxide-hydrate | pifithrin alpha | Pifithrin-alpha (PFTalpha) | Pifithrin-alpha hydrobromide | SY10941

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Pifithrin-α is an inhibitor of p53, inhibiting p53-dependent transactivation of p53-responsive genes.
An inhibitor of p53 that reversibly blocks p53 dependent transcriptional activation and apoptosis.

Specifications

Synonyms

A) HBr | Pifithrin-a hydrobromide | La2(CO3)3 | 2-(2-imino-4, 5, 6, 7-tetrahydro-1, 3-benzothiazol-3-yl)-1-(4-methylphenyl)ethanone, hydrobromide | lithiumhydroxide-hydrate | pifithrin alpha | Pifithrin-alpha (PFTalpha) | Pifithrin-alpha hydrobromide | SY10941

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

Pifithrin-α is a reversible inhibitor of p53-mediated apoptosis and p53-dependent gene transcription such as cyclin G, p21/waf1, and mdm2 expression. It enhances cell survival after genotoxic stress such as UV irradiation and treatment with cytotoxic comp

Storage

Protected from light, Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Action Type

INHIBITOR

Names and Identifiers

• Canonical Smiles: CC1=CC=C(C=C1)C(=O)CN2C3=C(CCCC3)SC2=N.Br
• IUPAC Name: 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylphenyl)ethanone;hydrobromide
• InChIKey: HAGVCKULCLQGRF-UHFFFAOYSA-N
• INCHI: 1S/C16H18N2OS.BrH/c1-11-6-8-12(9-7-11)14(19)10-18-13-4-2-3-5-15(13)20-16(18)17;/h6-9,17H,2-5,10H2,1H3;1H
• Isomeric SMILES: CC1=CC=C(C=C1)C(=O)CN2C3=C(CCCC3)SC2=N.Br
• WGK Germany: 3
• Molecular Weight: 367.3
• Reaxy-Rn: 4943838
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4943838&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Benzoyl derivatives Aryl alkyl ketones Toluenes Thiazoles Heteroaromatic compounds Isothioureas Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Hydrobromides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Toluene - Monocyclic benzene moiety - Benzenoid - Azole - Thiazole - Heteroaromatic compound - Isothiourea - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Hydrobromide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and 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)

CYP1B1 Tchem Cytochrome P450 1B1 (1148 Activities)

Discover Target: CYP1B1

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

CYP1A1 Tchem Cytochrome P450 1A1 (1169 Activities)

Discover Target: CYP1A1

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

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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

PC-3 (62116 Activities)

Explore this target

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

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

Rattus norvegicus (775804 Activities)

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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: Light ＆heat sensitive
• Melt Point(°C): 192 °C
• Molecular Weight: 367.300 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 366.04 Da
• Monoisotopic Mass: 366.04 Da
• Topological Polar Surface Area: 69.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 449.000
• 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

References

1. Bohan Liu, Jun Nan, Ruixue Jiang, Fangmin Wu, Langrun Song, Zhencheng Ge, Xuesong Ye, Xinhui Zhang, Wei Wang.  (2022)  Three-dimensional porous aerogel-bead absorbent with high dispersibility of lanthanum active sites to boost phosphorus scavenging.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.138509]

2. Runxiao Zheng, Liming Wang, Xiaqing Wu, Panpan Song, Yanjing Wang, Haiyuan Zhang.  (2021)  Biotransformation of soluble-insoluble lanthanum species and its induced NLRP3 inflammasome activation and chronic fibrosis.  ENVIRONMENTAL POLLUTION,      [PMID:34058500] [10.1016/j.envpol.2021.117438]

3. Jiajian Wang, Lanqing Zhang, Runfang Li, Rui Yang, Fan Yang, Fei Yu, Jihong Zhang.  (2025)  Gambogic acid restores wild-type-like p53 functions to induce ferroptosis in mutant p53 cancer cells.  BIOCHEMICAL PHARMACOLOGY,      [PMID:41213406] [10.1016/j.bcp.2025.117533]