Dichlorophene - 10mM in DMSO , CAS No.97-23-4

CAS: 97-23-4 Cat. No.: D427184 Peso molecular: 269.12 Beilstein Registry Number: 1884514 Número EC: 202-567-1

GRADE & PURITY 10mM in DMSO

Synonyms

Dichlorophen|dichlorophene|97-23-4|2,2'-Methylenebis(4-chlorophenol)|Didroxane|Anthiphen|Dichlorofen|Dichlorphen|Parabis|Dicestal|Didroxan|Trivex|Antiphen|Cordocel|Difentan|Embephen|Prevental|Taeniatol|Teniathane|Teniatol|Teniotol|Vermithana|Antifen|Halen

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinónimos

Dichlorophen | dichlorophene | 97-23-4 | 2, 2'-Methylenebis(4-chlorophenol) | Didroxane | Anthiphen | Dichlorofen | Dichlorphen | Parabis | Dicestal | Didroxan | Trivex | Antiphen | Cordocel | Difentan | Embephen | Prevental | Taeniatol | Teniathane | Teniatol | Teniotol | Vermithana | Antifen | Halen

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=C(C=C1Cl)CC2=C(C=CC(=C2)Cl)O)O
• IUPAC Name: 4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenol
• InChIKey: MDNWOSOZYLHTCG-UHFFFAOYSA-N
• INCHI: 1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2
• Isómeros SMILES: C1=CC(=C(C=C1Cl)CC2=C(C=CC(=C2)Cl)O)O
• WGK Alemania: 3
• RTECS: SM0175000
• Peso molecular: 269.12
• Beilstein: 1884514
• Reaxy-Rn: 1884514
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1884514&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: P-chlorophenols Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Organooxygen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - 4-chlorophenol - 4-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• External Descriptors: Organochlorine fungicides

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)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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VDR Tclin Vitamin D receptor (26531 Activities)

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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

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PPARA Tclin Peroxisome proliferator-activated receptor alpha (9197 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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

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RXRA Tclin Retinoid X receptor alpha (3637 Activities)

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ALOX12 Tchem Arachidonate 12-lipoxygenase (3262 Activities)

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

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HSP90AA1 Tchem Heat shock protein HSP 90-alpha (4115 Activities)

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NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)

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CASP1 Tchem Caspase-1 (6235 Activities)

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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KCNMA1 Tclin Calcium-activated potassium channel subunit alpha-1 (435 Activities)

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ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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HEK293 (82097 Activities)

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HepG2 (196354 Activities)

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Lymphoblastoid cell (5959 Activities)

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HIF1A Tchem Hypoxia-inducible factor 1 alpha (6027 Activities)

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IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)

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POLK Tbio DNA polymerase kappa (8653 Activities)

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HTT Tchem Huntingtin (19182 Activities)

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SLC22A1 Tchem Solute carrier family 22 member 1 (646 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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SNCA Tchem Alpha-synuclein (10960 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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USP2 Tbio Ubiquitin carboxyl-terminal hydrolase 2 (8818 Activities)

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SMN1 Tchem Survival motor neuron protein (34246 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

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BLM Tchem Bloom syndrome protein (4248 Activities)

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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

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GMNN Tbio Geminin (128009 Activities)

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microRNA 21 (64692 Activities)

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HSPA5 Tchem 78 kDa glucose-regulated protein (3319 Activities)

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ATXN2 Tbio Ataxin-2 (54410 Activities)

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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

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IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

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RAPGEF4 Tchem Rap guanine nucleotide exchange factor 4 (11476 Activities)

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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

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HSPD1 Tbio HSP60/HSP10 (366 Activities)

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TST Tchem Thiosulfate sulfurtransferase (144 Activities)

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Objetivos asociados (no humanos)

Ttr Transthyretin (14 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Tdo2 Tryptophan 2,3-dioxygenase (8 Activities)

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Caulobacter vibrioides (128 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Proteus vulgaris (5823 Activities)

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Salmonella typhimurium (15756 Activities)

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Micrococcus luteus (7463 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Bacillus subtilis (32866 Activities)

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Enterococcus faecalis (29875 Activities)

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Bacillus cereus (7522 Activities)

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Aspergillus fumigatus (16427 Activities)

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Plasmodium falciparum (966862 Activities)

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Candida albicans (78123 Activities)

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Trichophyton rubrum (3646 Activities)

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Rattus norvegicus (775804 Activities)

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lef Anthrax lethal factor (7585 Activities)

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GCN5 Histone acetyltransferase GCN5 (89 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Bacillus anthracis (2936 Activities)

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Danio rerio (3092 Activities)

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Trichophyton mentagrophytes (4846 Activities)

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Ido1 Indoleamine 2,3-dioxygenase 1 (313 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

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FTL Ferritin light chain (43324 Activities)

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NS1 Nonstructural protein 1 (33327 Activities)

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HSP90 (947 Activities)

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groL GroEL/GroES (1042 Activities)

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groEL 60 kDa chaperonin (64 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 177-178°C
• Peso molecular: 269.120 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 268.006 Da
• Monoisotopic Mass: 268.006 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 226.000
• 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

Referencias

1. Wei Xiao, Yu Miaomiao, Guo Jifeng.  (2019)  A Core-Shell Spherical Silica Molecularly Imprinted Polymer for Efficient Selective Recognition and Adsorption of Dichlorophen.  FIBERS AND POLYMERS,  20  (3): (459-465).  [PMID:] [10.1007/s12221-019-8822-2]

2. Jifeng Guo, Miaomiao Yu, Xiao Wei, Lihui Huang.  (2018)  Preparation of Core–Shell Magnetic Molecularly Imprinted Polymer with Uniform Thin Polymer Layer for Adsorption of Dichlorophen.  JOURNAL OF CHEMICAL AND ENGINEERING DATA,      [PMID:] [10.1021/acs.jced.8b00321]

3. Xiao Han, Yijing Ai, Lisi Wang, Tao Liu, Amir Badshah, Xiaojuan Hu, Zhitan Huang, Ahmad Mansoor, Wei Sun.  (2025)  Flexible Electrochemical Sensing: Compact and Efficient Detection of Bisphenol A Using Copper Nanoparticle Decorated Laser-Induced Graphene-Based Electrode.  ELECTROANALYSIS,  37  (2): (e12025).  [PMID:] [10.1002/elan.12025]