2-HYDROXY-4-METHOXY-4'-METHYLBENZOPHENONE - 10mM in DMSO , CAS No.1641-17-4

CAS: 1641-17-4 Cat. No.: H422027 Summenformel: C₁₅H₁₄O₃ Molekulargewicht: 242.277 EG-Nummer: 216-688-2

GRADE & PURITY 10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

Mexenone is a benzophenone-derived sunscreening agent.

Specifications

Synonyme

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

Spezifikationen & Reinheit

10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

• Pubchem Sid: 528774676
• Kanonisches Lächeln: 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
• Isomere SMILES: CC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)OC)O
• Molekulargewicht: 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
    • Klasse Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

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

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

Discover Target: USP1

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Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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Plasmodium falciparum (966862 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 98℃
• Molekulargewicht: 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

Referenzen

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]