27115-49-7

Basic information

• Product Name: 3-METHYLHIPPURIC ACID
• Synonyms: N-(M-TOLUOYL)GLYCINE;N-(3-METHYLBENZOYL)GLYCINE;M-TOLURIC ACID;M-METHYLHIPPURIC ACID;3-METHYLHIPPURIC ACID;[(3-METHYLBENZOYL)AMINO]ACETIC ACID;META-METHYL-HIPPURICACID;M-METHYLHIPPURIC ACID STANDARD
• CAS NO: 27115-49-7
• Molecular Formula: C₁₀H₁₁NO₃
• Molecular Weight: 193.2
• Product Categories: Amines;Aromatics;Inhibitors
• Mol File: 27115-49-7.mol
• Article Data: 8

Chemical Properties

• Melting Point: 138-140 °C(lit.)
• Boiling Point: 329.41°C (rough estimate)
• Flash Point: 206.9 °C
• Appearance: /
• Density: 1.2307 (rough estimate)
• Vapor Pressure: 9.41E-08mmHg at 25°C
• Refractive Index: 1.5300 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: DMSO (Slightly), Methanol (Slightly)
• PKA: 3.71±0.10(Predicted)
• CAS DataBase Reference: 3-METHYLHIPPURIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-METHYLHIPPURIC ACID(27115-49-7)
• EPA Substance Registry System: 3-METHYLHIPPURIC ACID(27115-49-7)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26
• WGK Germany: 3
• Hazardous Substances Data: 27115-49-7(Hazardous Substances Data)

Usage

Chemical Properties

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Uses

Different sources of media describe the Uses of 27115-49-7 differently. You can refer to the following data:
1. Α substituted hippurate analog as substrates and inhibitor of peptidylglycine α-hydroxylating monooxygenase (PHM).
2. 3-Methylhippuric acid was employed as biological marker in studies on occupational exposure to xylene (solvent).

Definition

ChEBI: An N-acylglycine that is the 3-methyl derivative of hippuric acid.

General Description

3-Methylhippuric acid is also referred as m-methyl-hippuric acid. It is major product of xylene biotransformation in urine.

InChI:InChI=1/C10H11NO3/c1-7-3-2-4-8(5-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)/p-1

Upstream product

• 99-04-7 m-Toluic acid 
• 56-40-6 glycine 
• 1711-06-4 3-Methylbenzoyl chloride 

Downstream Products

• 72615-42-0 2-o-Tolyl-4-[1-m-tolyl-meth-(Z)-ylidene]-4H-oxazol-5-one 
• 630117-18-9 [(3-methylbenzoyl)amino]methyl acetate 
• 72615-46-4 (Z)-4-(4-methylbenzylidene)-2-(m-tolyl)oxazol-5(4H)-one 

Relevant articles and documents

Synthesis and evaluation of new phenyl acrylamide derivatives as potent non-nucleoside anti-HBV agents

As a continuation of our previous work, a series of new phenyl acrylamide derivatives (4Aa-g, 4Ba-t, 5 and 6a-c) were designed and synthesized as non-nucleoside anti-HBV agents. Among them, compound 4Bs could potently inhibit HBV DNA replication in wild-type and lamivudine (3TC)/entecavir resistant HBV mutant strains with IC50 values of 0.19 and 0.18 μM, respectively. Notably, the selective index value of 4Bs was above 526, indicating the favorable safety profile. Interestingly, unlike nucleoside analogue 3TC, 4Bs could significantly inhibit 3.5 kb pgRNA expression. Molecular docking study revealed that 4Bs could fit well into the dimer-dimer interface of HBV core protein by hydrophobic, π–π and H-bond interactions. Considering the potent anti-HBV activity, low toxicity and diverse anti-HBV mechanism from that of nucleoside anti-HBV agent 3TC, compound 4Bs might be a promising lead to develop novel non-nucleoside anti-HBV therapeutic agents, and warranted further investigation.

METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION

In one aspect, the invention relates to substituted l-phenyl-3-(piperidin-4-yl)urea analogs, derivatives thereof, and related compounds, which are useful as inhibitors of the DCN1-UBC12 interaction inhibitors of DCN1 -mediated cullin-RING ligase activity, methods of making same, pharmaceutical compositions comprising same, methods of treating disorders using the disclosed compounds and compositions, methods of treating disorders associated with a DCN1-UBC12 interaction dysfunction, methods of treating disorders associated with a DCN1-mediated cullin-RING ligase activity dysfunction, methods of male contraception comprising the disclosed compounds and compositions, and kits comprising the disclosed compounds and compositions. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

A convenient method for synthesis of 5-chloro-2-aryloxazole-4-carbaldehyde with vilsmeier reagent

A convenient method for synthesis of 5-chloro-2-aryloxazole-4-carbaldehyde 3 in moderate to good yields had been developed via the Vilsmeier reaction of readily available N-arylglycine 2 at 100 °C, provided a novel route for the construction of nitrogen heterocycles. A series of these compounds were synthesized by this method and optimization of conditions was performed. The Japan Institute of Heterocyclic Chemistry.