iHAP1 - ≥98% , CAS No.105925-39-1

CAS: 105925-39-1 Cat. No.: I414462 Peso molecular: 367.85 Número EC: 855-169-0

GRADE & PURITY ≥98%

Synonyms

CUN25391 | BDBM50483987 | EX-A4126 | SCHEMBL22147462 | Z56843374 | (2-chlorophenothiazin-10-yl)-(4-methoxyphenyl)methanone | EN300-6486380 | (2-Chloro-10H-phenothiazin-10-yl)(4-methoxyphenyl)methanone | Oprea1_789892 | E75426 | AKOS001020463 | HY-136121 |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

iHAP1 iHAP1 is an activator of protein phosphatase 2A (PP2A) enzymes that activates PP2A-B56ε and potently kills malignant cells.

Targets

PP2A

In vitro

Phenothiazine analog iHAP1 activates PP2A-B56ε and potently kills malignant cells. iHAP1 does not inhibit dopamine signaling or cause prohibitive neurologic toxicity. The PP2A complex activated by iHAP1 dephosphorylates the MYBL2 transcription factor on Ser241, causing irreversible arrest of leukemia and other cancer cells in prometaphase.

In vivo

In preclinical testing against T-ALL xenografts, iHAP1 emerges as a much more promising compound than PPZ, showing improved antitumor activity and lack of toxicity.

Cell Research(from reference)

Cell lines：HEK293T cells 

Concentrations：0.5 μM 

Incubation Time：3 h 

Specifications

Sinónimos

CUN25391 | BDBM50483987 | EX-A4126 | SCHEMBL22147462 | Z56843374 | (2-chlorophenothiazin-10-yl)-(4-methoxyphenyl)methanone | EN300-6486380 | (2-Chloro-10H-phenothiazin-10-yl)(4-methoxyphenyl)methanone | Oprea1_789892 | E75426 | AKOS001020463 | HY-136121 |

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

iHAP1 is an activator of protein phosphatase 2A (PP2A) enzymes that activates PP2A-B56ε and potently kills malignant cells.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504760718
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760718
• Sonrisas canónicas: COC1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl
• IUPAC Name: (2-chlorophenothiazin-10-yl)-(4-methoxyphenyl)methanone
• InChIKey: CSWHYHPUEDNIQY-UHFFFAOYSA-N
• INCHI: 1S/C20H14ClNO2S/c1-24-15-9-6-13(7-10-15)20(23)22-16-4-2-3-5-18(16)25-19-11-8-14(21)12-17(19)22/h2-12H,1H3
• Isómeros SMILES: COC1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl
• Peso molecular: 367.85
• Reaxy-Rn: 1156684
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1156684&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzothiazines
      • Subclass Phenothiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzothiazines
• Subclass: Phenothiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenothiazines
• Alternative Parents: Diarylthioethers Benzamides Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers 1,4-thiazines Aryl chlorides Tertiary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenothiazine - Diarylthioether - Benzoic acid or derivatives - Benzamide - Benzoyl - Phenol ether - Phenoxy compound - Aryl thioether - Methoxybenzene - Anisole - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Para-thiazine - Aryl halide - Aryl chloride - Tertiary carboxylic acid amide - Carboxamide group - Azacycle - Thioether - Carboxylic acid derivative - Ether - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organopnictogen compound - Organohalogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.
• 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

Objetivos asociados (humanos)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

BCHE Tclin Butyrylcholinesterase (7174 Activities)

Discover Target: BCHE

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

K562 (73714 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 20 mg/mL (54.36 mM); Ethanol: 5 mg/mL (13.59 mM); Water: Insoluble
• Peso molecular: 367.800 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 367.043 Da
• Monoisotopic Mass: 367.043 Da
• Topological Polar Surface Area: 54.800 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 482.000
• 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