UF010 is a class I HDAC-selective inhibitor with IC50 values of 0.5 nM, 0.1 nM, 0.06 nM, 1.5 nM, 9.1 nM and 15.3 nM for HDAC1, HDAC2, HDAC3, HDAC8, HDAC6 and HDAC10, respectively.

Targets

HDAC3 (Cell-free assay); HDAC2 (Cell-free assay); HDAC1 (Cell-free assay); HDAC8 (Cell-free assay); HDAC6 (Cell-free assay) 31045,0.06 nM; 0.1 nM; 0.5 nM; 1.5 nM; 9.1 nM

In vitro

In Cell-cycle analysis using MDA-MB-231 cells, UF010 mainly blocks G1/S transition with an increased G1 cell population and a reduced cell population in the S phase in a dose-dependent manner. UF010 has a half-life of 15.8 hr in cell culture medium containing 10% fetal bovine serum.

Cell Research(from reference)

Cell lines：HCT116 cells and A549 cells

Concentrations：2 μM

Incubation Time：1 h

仕様

同義語

Benzoic acid,4-bromo-,2-butylhydrazide | 4-Bromo-benzoic acid 2-butylhydrazide | 4-bromo-N'-butylbenzohydrazide

仕様と純度

10mM in DMSO

生化学的・生理学的メカニズム

UF010 is a class I HDAC-selective inhibitor with IC50 values of 0.5 nM, 0.1 nM, 0.06 nM, 1.5 nM, 9.1 nM and 15.3 nM for HDAC1, HDAC2, HDAC3, HDAC8, HDAC6 and HDAC10, respectively.

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。

製品の性質

ALogP

2.623

HBD数

回転可能な結合

名前と識別子

パブケム・シド

528767574

カノニカル・スマイル

CCCCNNC(=O)C1=CC=C(C=C1)Br

IUPAC Name

4-bromo-N'-butylbenzohydrazide

InChIKey

BVQCFCYPFJOOAV-UHFFFAOYSA-N

INCHI

1S/C11H15BrN2O/c1-2-3-8-13-14-11(15)9-4-6-10(12)7-5-9/h4-7,13H,2-3,8H2,1H3,(H,14,15)

異性体SMILES

CCCCNNC(=O)C1=CC=C(C=C1)Br

PubChem CID

4596836

分子量

271.15

ドキュメント

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詳細データ

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	Benzoyl derivatives Bromobenzenes Aryl bromides Carboxylic acid hydrazides Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	4-halobenzoic acid or derivatives - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Carboxylic acid hydrazide - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic 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	Not available
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

3 D構造

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レビュー

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DMSO（mg / mL）最大溶解度	54
DMSO（mM）最大溶解度	199.151761017887
水（mg / mL）最大溶解度	＜1
分子量	271.150 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	270.037 Da
Monoisotopic Mass	270.037 Da
Topological Polar Surface Area	41.100 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	191.000
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

UF010 - 10mM in DMSO , CAS No.537672-41-6

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品質書類

文献的裏付け

概要

仕様