2-HYDROXY-4-METHOXY-4'-METHYLBENZOPHENONE - ≥98% , CAS No.1641-17-4

CAS: 1641-17-4 Cat. No.: H167740 Peso molecular: 242.277 Número EC: 216-688-2

GRADE & PURITY ≥98%

Synonyms

HSDB 105 | STL236751 | 2-hydroxy-4-methoxy 4'-methylbenzophenone | SR-01000940330-2 | Uvistat | Benzophenone-10 | Methyl acetamide | Pharmakon1600-01506199 | Q18344257 | Mesenone | Methanone, (2-hydroxy-4-methoxyphenyl)(4-methylphenyl)- | Mexenona | Propi

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Mexenone is a benzophenone-derived sunscreening agent.

Specifications

Sinónimos

HSDB 105 | STL236751 | 2-hydroxy-4-methoxy 4'-methylbenzophenone | SR-01000940330-2 | Uvistat | Benzophenone-10 | Methyl acetamide | Pharmakon1600-01506199 | Q18344257 | Mesenone | Methanone, (2-hydroxy-4-methoxyphenyl)(4-methylphenyl)- | Mexenona | Propi

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

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

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504754635
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754635
• Sonrisas canónicas: CC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)OC)O
• IUPAC Name: (2-hydroxy-4-methoxyphenyl)-(4-methylphenyl)methanone
• InChIKey: MJVGBKJNTFCUJM-UHFFFAOYSA-N
• INCHI: 1S/C15H14O3/c1-10-3-5-11(6-4-10)15(17)13-8-7-12(18-2)9-14(13)16/h3-9,16H,1-2H3
• Isómeros SMILES: CC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)OC)O
• Peso molecular: 242.277
• Reaxy-Rn: 1972646
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1972646&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Methoxyphenols Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Toluenes Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Methoxyphenol - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Aryl ketone - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Toluene - Vinylogous acid - Ketone - Ether - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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

Objetivos asociados (humanos)

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

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

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

Discover Target: USP1

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

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Plasmodium falciparum (966862 Activities)

Explore this target

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

Luciferin 4-monooxygenase (66902 Activities)

Explore this target

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Chloroform (Slightly, Heated), Methanol (Slightly, Heated)
• Punto de fusión (°C): 98℃
• Peso molecular: 242.270 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 242.094 Da
• Monoisotopic Mass: 242.094 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 281.000
• 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. Hao Lin, Shaowei Wang, Yunbing Tang, Zhiyan Hu, Xiaofang Chen, Huitao Li, Yang Zhu, Yiyan Wang, Yi Liu, Ren-shan Ge.  (2023)  Benzophenone-type ultraviolet filters inhibit human and rat placental 3β-hydroxysteroid dehydrogenases: Structure-activity relationship and in silico docking analysis.  TOXICOLOGY LETTERS,      [PMID:37217011] [10.1016/j.toxlet.2023.05.006]

2. Mengyun Wang, Yang Yu, Yunbing Tang, Chengshuang Pan, Qianjin Fei, Zhiyan Hu, Huitao Li, Yang Zhu, Yiyan Wang, Ren-shan Ge.  (2023)  Benzophenone-1 and -2 UV-filters potently inhibit human, rat, and mouse gonadal 3β-hydroxysteroid dehydrogenases: Structure-activity relationship and in silico docking analysis.  JOURNAL OF STEROID BIOCHEMISTRY AND MOLECULAR BIOLOGY,      [PMID:36871834] [10.1016/j.jsbmb.2023.106279]

3. Zhuoqi Chen, Chaochao Gong, Shaowei Wang, Han Lu, Yang Zhu, Ren-shan Ge, Yunbing Tang, Yingfen Ying.  (2025)  Benzophenone UV-filters: Inhibition on Human and Rat 17β-hydroxysteroid Dehydrogenase 1 - Insights from 3D-QSAR and Docking Studies.  JOURNAL OF STEROID BIOCHEMISTRY AND MOLECULAR BIOLOGY,      [PMID:40122306] [10.1016/j.jsbmb.2025.106739]

4. Ting Hao, Xin Zhao, Zhongyao Ji, Miaomiao Xia, Han Lu, Jianmin Sang, Shaowei Wang, Linxi Li, Ren-shan Ge, Qiqi Zhu.  (2024)  UV-filter benzophenones suppress human, pig, rat, and mouse 11β-hydroxysteroid dehydrogenase 1: Structure-activity relationship and in silico docking analysis.  COMPARATIVE BIOCHEMISTRY AND PHYSIOLOGY C-TOXICOLOGY & PHARMACOLOGY,      [PMID:38518984] [10.1016/j.cbpc.2024.109900]