iHAP1 - ≥98% , CAS No.105925-39-1

CAS: 105925-39-1 Cat. No.: I414462 分子式: C₂₀H₁₄ClNO₂S 分子量: 367.85 EC番号: 855-169-0

グレード＆純度 ≥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

概要

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 

仕様

同義語

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 |

仕様と純度

≥98%

生化学的・生理学的メカニズム

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

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%

名前と識別子

パブケム・シド

504760718

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504760718

カノニカル・スマイル

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

異性体SMILES

COC1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

分子量

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
    • 分類 Benzothiazines
      • Subclass Phenothiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Solubility (25°C) In vitro DMSO: 20 mg/mL (54.36 mM); Ethanol: 5 mg/mL (13.59 mM); Water: Insoluble
• 分子量: 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

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 105925-39-1, the molecular formula is C2OH14ClNO2S, and the molecular weight is 367.85 g/mol. InChIKey CSWHYHPUEDNIQY-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.