ITSA-1 - 10mM in DMSO , CAS No.200626-61-5

CAS: 200626-61-5 Cat. No.: I422440 分子式: C₁₃H₇Cl₂N₃O 分子量: 292.12 EC番号: 633-827-6

GRADE & PURITY 10mM in DMSO

Synonyms

A920444 | BCP18420 | CBChromo1_000142 | AC-36056 | Probes2_000339 | CBDivE_009565 | N-(1H-Benzotriazol-1-yl)-2,4-dichlorobenzamide;1-(2,4-Dichlorobenzoyl)-1H-benzotriazole | benzotriazol-1-yl-(2,4-dichlorophenyl)methanone | ITSA-1, >=98% (HPLC), solid | M

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要

Product introduction：

ITSA-1 is an activator of histone deacetylase (HDAC), and counteract trichostatin A (TSA)-induced cell cycle arrest, histone acetylation, and transcriptional activation. 

Specifications

同義語

A920444 | BCP18420 | CBChromo1_000142 | AC-36056 | Probes2_000339 | CBDivE_009565 | N-(1H-Benzotriazol-1-yl)-2,4-dichlorobenzamide;1-(2,4-Dichlorobenzoyl)-1H-benzotriazole | benzotriazol-1-yl-(2,4-dichlorophenyl)methanone | ITSA-1, >=98% (HPLC), solid | M

仕様と純度

10mM in DMSO

生化学的・生理学的メカニズム

Cell-permeable HDAC activator. Selective Trichostatin A suppressor. Counteracts Trichostatin A-induced cell cycle arrest. Inhibits Trichostatin A-induced tubulin acetylation. Shows no effect on the activity of other HDAC inhibitors.

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

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。

アクションタイプ

ACTIVATOR

名前と識別子

• パブケム・シド: 528764921
• カノニカル・スマイル: C1=CC=C2C(=C1)N=NN2C(=O)C3=C(C=C(C=C3)Cl)Cl
• IUPAC Name: benzotriazol-1-yl-(2,4-dichlorophenyl)methanone
• InChIKey: UVNLAUGZMOPBPR-UHFFFAOYSA-N
• INCHI: 1S/C13H7Cl2N3O/c14-8-5-6-9(10(15)7-8)13(19)18-12-4-2-1-3-11(12)16-17-18/h1-7H
• 異性体SMILES: C1=CC=C2C(=C1)N=NN2C(=O)C3=C(C=C(C=C3)Cl)Cl
• 分子量: 292.12
• Reaxy-Rn: 38623576
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38623576&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Halobenzoic acids and derivatives
          • Level6 4-halobenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: 4-halobenzoic acids and derivatives
• Alternative Parents: 2-halobenzoic acids and derivatives Benzotriazoles Dichlorobenzenes Benzoyl derivatives Aryl chlorides Vinylogous halides Triazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzotriazole - Benzoyl - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Triazole - 1,2,3-triazole - Vinylogous halide - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
• External Descriptors: benzamides - dichlorobenzene - benzotriazoles

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）

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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

GLA Tclin Alpha-galactosidase A (5444 Activities)

Discover Target: GLA

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

POLK Tbio DNA polymerase kappa (8653 Activities)

Discover Target: POLK

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

関連ターゲット（非人間）

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

• 分子量: 292.120 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 290.997 Da
• Monoisotopic Mass: 290.997 Da
• Topological Polar Surface Area: 47.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 355.000
• 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

参考文献

1. Li Fan, Lijuan Zhao, Yangbo Zhu, Lin Li, Xueping Yang, Ping Ma, Jian Liu, Qingwei Zhao, Xiaobo Li.  (2024)  Hydroxytyrosol ameliorates stress–induced liver injury through activating autophagy via HDAC1/2 inhibition.  Food & Function,      [PMID:38680105] [10.1039/D4FO01027B]