18979-62-9

Usage

Derivative of Resorcinol

1,3-Benzenediol

Explanation

1,3-Benzenediol, 4-(2-methylpropyl)is a derivative of resorcinol, which means it is a modified version of the original compound with an additional 4-(2-methylpropyl) group.

Explanation

The chemical structure describes the arrangement of atoms in the molecule. In this case, it consists of a benzene ring with two hydroxyl (OH) groups attached to carbons 1 and 3, and a 2-methylpropyl (isobutyl) group attached to carbon 4.

Explanation

The presence of the 4-(2-methylpropyl) group in the molecule can change its physical properties (e.g., melting point, boiling point, density) and chemical properties (e.g., reactivity, solubility) compared to the parent compound, resorcinol.

Explanation

Due to its unique structure and properties, 1,3-Benzenediol, 4-(2-methylpropyl)may have potential uses in various industries, such as pharmaceuticals and cosmetics, as well as in the development of new organic compounds with specific characteristics.

Explanation

More research is needed to fully explore the potential applications, benefits, and potential risks associated with 1,3-Benzenediol, 4-(2-methylpropyl)-, as its properties and behavior in different contexts are not yet fully understood.

Chemical Structure

Aromatic ring with two hydroxyl groups at positions 1 and 3, and a 2-methylpropyl group at position 4

Physical and Chemical Properties

Altered by the addition of the 4-(2-methylpropyl) group

Potential Applications

Pharmaceutical and cosmetic products, synthesis of new organic compounds

Further Research

Required to understand potential uses and risks

Upstream product

• 79-30-1 isobutyryl chloride 
• 108-46-3 recorcinol 
• 29048-54-2 1-(2,4-dihydroxyphenyl)-2-methyl-1-propanone 

Downstream Products

• 1358930-06-9 1-(2,4-dihydroxy-5-isobutylphenyl)ethanone 
• 1611465-61-2 O,O-dibenzyl-2-(benzyloxymethyl)-4-ibutyl-6-bromoresorcinol 
• 1611466-05-7 O,O-dibenzyl-2-(benzyloxymethyl)-4-ibutylresorcinol 
• 1611466-11-5 C₂₄H₃₆O₈ 
• 1611466-21-7 C₄₅H₅₄O₈ 
• 1611466-03-5 O,O-dibenzyl-4-i-butylresorcinol 
• 65239-72-7 2,4-Dihydroxy-5-(2-methyl)-n-propyl-trifluoracetophenon 

Relevant academic research and scientific papers

Discovery and SAR study of hydroxyacetophenone derivatives as potent, non-steroidal farnesoid X receptor (FXR) antagonists

Compound 1 (IC50 = 35.2 ± 7.2 μM), a moderate FXR antagonist was discovered via high-throughput screening. Structure-activity relationship studies indicated that the shape and the lipophilicity of the substituents of the aromatic ring affect the activity dramatically, increasing the shape and the lipophilicity of the substituents of the aromatic ring enhances the potency of FXR antagonists. Especially, when the OH at C2 position of the aromatic ring was replaced by the OBn substituent (analog 2b), its activity could be improved to IC50 = 1.1 ± 0.1 μM. Besides, the length of the linker and the tetrazole structure are essential for retaining the activity.

Stereocontrol by quaternary centres: A stereoselective synthesis of (-)-luminacin D

Very high diastereoselectivity can be achieved by 1,3-chelation-controlled allylation of aldehydes that possess a non-chelating α-ether substituent, even if the α-position is a quaternary centre and/or a spiro-epoxide. This reaction was used as a key step in an enantioselective synthesis of the angiogenesis inhibitor luminacin D.

4,5-Diarylisoxazole Hsp90 chaperone inhibitors: Potential therapeutic agents for the treatment of cancer

Inhibitors of the Hsp90 molecular chaperone are showing considerable promise as potential chemotherapeutic agents for cancer. Here, we describe the structure-based design, synthesis, structure - activity relationships and pharmacokinetics of potent small-molecule inhibitors of Hsp90 based on the 4,5-diarylisoxazole scaffold. Analogues from this series have high affinity for Hsp90, as measured in a fluorescence polarization (FP) competitive binding assay, and are active in cancer cell lines where they inhibit proliferation and exhibit a characteristic profile of depletion of oncogenic proteins and concomitant elevation of Hsp72. Compound 40f (VER-52296/NVP-AUY922) is potent in the Hsp90 FP binding assay (IC50 = 21 nM) and inhibits proliferation of various human cancer cell lines in vitro, with GI50 averaging 9 nM. Compound 40f is retained in tumors in vivo when administered i.p., as evaluated by cassette dosing in tumor-bearing mice. In a human colon cancer xenograft model, 40f inhibits tumor growth by ～50%.

ISOXAZOLE COMPOUNDS AS INHIBITORS OF HEAT SHOCK PROTEINS

Isoxazoles of formula (A) or (B) are inhibitors of HSP90 activity, and useful for treatment of, for example cancers: (A), (B) wherein R1, is a group of formula (IA): -Ar1-(Alk1)p-(Z)r-(Alk2)S-Q, wherein in any compatible combination Ar1 is an optionally substituted aryl or heteroaryl radical, Alk1and Alk2 are optionally substituted divalent Cl-C6 alkylene or C2-C6 alkenylene radicals, p, r and s are independently 0 or 1, Z is -0-, -S-, -(C=O)-, -(C=S)-, -SO2-, -C(=O)O-, -C(=O)NRA-, -C(=S)NRA-, - SO2NRA-, -NRAC(=O)-, -NRASO2- or -NRA- wherein RA is hydrogen or Cl-C6 alkyl, and Q is hydrogen or an optionally substituted carbocyclic or heterocyclic radical; R2 is (i) a group of formula (IA) above or (ii) a carboxamide radical; or (iii) a non aromatic carbocyclic or heterocyclic ring wherein a ring carbon is optionally substituted, and/or a ring nitrogen is optionally substituted by a group of formula -(Alk1)p-(Z)r-(Alk2)s-Q wherein Q, Alk1, Alk2, Z, p, r and s are as defined above in relation to group (IA); and R3 is hydrogen, optionally substituted cycloalkyl, cycloalkenyl, C1-C6 alkyl, C1-C6 alkenyl, or C1-C6 alkynyl; or a carboxyl, carboxamide, or carboxyl ester group.