4-Hexylresorcinol - 10mM in DMSO , CAS No.136-77-6

CAS: 136-77-6 Cat. No.: H421395 Formula: C₁₂H₁₈O₂ Peso molecolare: 194.27 Beilstein Registry Number: 2048310 Numero EC: 205-257-4

GRADE & PURITY 10mM in DMSO

Synonyms

hexylresorcinol|4-Hexylresorcinol|136-77-6|4-hexylbenzene-1,3-diol|4-Hexyl-1,3-benzenediol|4-n-Hexylresorcinol|p-Hexylresorcinol|Antascarin|Ascaricid|Ascarinol|Adrover|Caprokol|Hidesol|Oxana|Crystoids|1,3-Benzenediol, 4-hexyl-|Prensol|4-Hexylresorcine|Suc

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinonimi

hexylresorcinol | 4-Hexylresorcinol | 136-77-6 | 4-hexylbenzene-1,3-diol | 4-Hexyl-1,3-benzenediol | 4-n-Hexylresorcinol | p-Hexylresorcinol | Antascarin | Ascaricid | Ascarinol | Adrover | Caprokol | Hidesol | Oxana | Crystoids | 1,3-Benzenediol, 4-hexyl- | Prensol | 4-Hexylresorcine | Suc

Specifiche e purezza

10mM in DMSO

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Nomi e identificatori

• Pubchem Sid: 528760058
• Sorrisi canonici: CCCCCCC1=C(C=C(C=C1)O)O
• IUPAC Name: 4-hexylbenzene-1,3-diol
• InChIKey: WFJIVOKAWHGMBH-UHFFFAOYSA-N
• INCHI: 1S/C12H18O2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h7-9,13-14H,2-6H2,1H3
• Isomeri SMILES: CCCCCCC1=C(C=C(C=C1)O)O
• WGK Germania: 3
• RTECS: VH1575000
• Peso molecolare: 194.27
• Beilstein: 2048310
• Reaxy-Rn: 2048312
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2048312&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Benzenediols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Benzenediols
• Intermediate Tree Nodes: Not available
• Direct Parent: Resorcinols
• Alternative Parents: 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as resorcinols. These are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3.
• 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

Obiettivi associati (umani)

TYR Tclin Tyrosinase (1 Activities)

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 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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TYR Tclin Tyrosinase (717 Activities)

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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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ALOX12 Tchem Arachidonate 12-lipoxygenase (3262 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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A498 (42825 Activities)

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CCRF-CEM (65223 Activities)

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COLO 205 (50209 Activities)

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DLD-1 (17511 Activities)

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DMS-273 (14108 Activities)

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HL-60 (67320 Activities)

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HT-29 (80576 Activities)

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K562 (73714 Activities)

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KM12 (47707 Activities)

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MCF7 (126967 Activities)

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MOLT-4 (49676 Activities)

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OVCAR-3 (48710 Activities)

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OVCAR-4 (44535 Activities)

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OVCAR-5 (45555 Activities)

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OVCAR-8 (47708 Activities)

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RPMI-8226 (44974 Activities)

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RXF 393 (41971 Activities)

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SF-295 (48000 Activities)

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SK-MEL-2 (46422 Activities)

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SK-MEL-28 (48833 Activities)

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SK-MEL-5 (47095 Activities)

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SK-OV-3 (52876 Activities)

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SN12C (47755 Activities)

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SNB-19 (46794 Activities)

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SNB-78 (14240 Activities)

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U-251 (51189 Activities)

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UACC-257 (46019 Activities)

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UACC-62 (47335 Activities)

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UO-31 (46270 Activities)

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XF498 (12972 Activities)

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A549 (127892 Activities)

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NCI/ADR-RES (33767 Activities)

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EKVX (44102 Activities)

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NCI-H322M (45589 Activities)

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HCC 2998 (41480 Activities)

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HCT-116 (91556 Activities)

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HOP-18 (11577 Activities)

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HOP-92 (41141 Activities)

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NCI-H460 (60772 Activities)

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SF-268 (49410 Activities)

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Obiettivi associati (non umani)

ampC Beta-lactamase AmpC (62480 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Galc Galactocerebrosidase (11 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Plasmodium falciparum (966862 Activities)

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P388 (20296 Activities)

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P388/ADR (1216 Activities)

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lef Anthrax lethal factor (7585 Activities)

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rep Replicase polyprotein 1ab (378 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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FTL Ferritin light chain (43324 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Air Sensitive
• Punto di infiammabilità (°F): 388.4 °F
• Punto di infiammabilità (°C): 198 °C
• Punto di ebollizione (°C): 178°C/6mmHg
• Punto di fusione (°C): 65-69°C
• Peso molecolare: 194.270 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 194.131 Da
• Monoisotopic Mass: 194.131 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 147.000
• 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

Riferimenti

1. Jingna Liu, Bingqing Chen, Qianyi Hu, Qiong Zhang, Bingqing Huang, Peng Fei.  (2023)  Pectin grafted with resorcinol and 4-hexylresorcinol: Preparation, characterization and application in meat preservation.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:36977442] [10.1016/j.ijbiomac.2023.124212]

2. Hu Qingqing, Yu Weihua, Fan Yucong, Kuang Jianhua, Cheng Zhengjun.  (2023)  Silicon Doped Carbon Dots as an New Ratiometric Fluorescence Probe for Proanthocyanidins Assay Based on the Redox Reaction Between Cr(VI) and Proanthocyanidins.  JOURNAL OF FLUORESCENCE,  33  (3): (849-858).  [PMID:36595093] [10.1007/s10895-022-03131-w]

3. Zhengjun Cheng, Yucong Fan, Lei Zhang, Chen Wang.  (2022)  Preparation of co-enhanced gold nanoclusters and its application in the detections of 4-hexylresorcinol and Cr6+.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2022.134712]

4. Yuling Li, Xiaotong Wu, Zixuan Wu, Mingmin Zhong, Xiaoping Su, Youai Ye, Yan Liu, Lei Tan, Yong Liang.  (2022)  Colorimetric sensor array based on CoOOH nanoflakes for rapid discrimination of antioxidants in food.  Analytical Methods,  14  (28): (2754-2760).  [PMID:35781305] [10.1039/D2AY00692H]

5. Guangyu Chu, Chunlei Zhang, Yifei Liu, Zanxia Cao, Lirui Wang, Yunfeng Chen, Wenjie Zhou, Guo Gao, Kan Wang, Daxiang Cui.  (2020)  A Gold Nanocluster Constructed Mixed-Metal Metal–Organic Network Film for Combating Implant-Associated Infections.  ACS Nano,      [PMID:33166138] [10.1021/acsnano.0c06446]