62642-62-0

Basic information

• Product Name: 4-(MORPHOLINOMETHYL)BENZOIC ACID
• Synonyms: 4-(5-Morpholinylmethyl)benzoic acid HCL);TIMTEC-BB SBB011465;AKOS BB-9472;4-(MORPHOLINOMETHYL)BENZOIC ACID;4-MORPHOLIN-4-YLMETHYLBENZOIC ACID;BUTTPARK 98\57-92;4-MORPHOLIN-4-YLMETHYLBENZOIC ACID 95%;4-(4-Morpholinylmethyl)benzoic acid, 97%
• CAS NO: 62642-62-0
• Molecular Formula: C₁₂H₁₅NO₃
• Molecular Weight: 221.25
• EINECS: 1312995-182-4
• Mol File: 62642-62-0.mol
• Article Data: 11

Chemical Properties

• Melting Point: 179-183°C
• Boiling Point: 369.8 °C at 760 mmHg
• Flash Point: 177.4 °C
• Appearance: /
• Density: 1.233 g/cm³
• Vapor Pressure: 4.02E-06mmHg at 25°C
• Refractive Index: 1.58
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: DMSO (Slightly), Methanol (Slightly)
• PKA: 4.00±0.10(Predicted)
• Sensitive: Hygroscopic
• CAS DataBase Reference: 4-(MORPHOLINOMETHYL)BENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(MORPHOLINOMETHYL)BENZOIC ACID(62642-62-0)
• EPA Substance Registry System: 4-(MORPHOLINOMETHYL)BENZOIC ACID(62642-62-0)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g
• HazardClass: IRRITANT
• Hazardous Substances Data: 62642-62-0(Hazardous Substances Data)

Usage

Uses

4-?(Morpholinomethyl)?benzoic Acid is a reactant used in the synthesis of sirtuin 2 inhibitors, used in the treatment of parkinsons.

InChI:InChI=1/C12H15NO3/c14-12(15)11-3-1-10(2-4-11)9-13-5-7-16-8-6-13/h1-4H,5-9H2,(H,14,15)

Upstream product

• 2417-72-3 Methyl 4-(bromomethyl)benzoate 
• 68453-56-5 methyl 4-(morpholinomethyl)benzoate 
• 1571-08-0 methyl 4-formylbenzoate 
• 110-91-8 morpholine 
• 6232-88-8 4-bromomethylbenzoic Acid 
• 1642-81-5 p-(chloromethyl)benzoic acid 

Downstream Products

• 168622-08-0 N-[2-t-butyl-5-(5-cyclohexyl-3-oxopentyl)phenyl]-2-(9H-xanthen-9-yl)acetamide 
• 168624-11-1 α-1-(2-{4-t-Butyl-3-[2-(9H-xanthen-9-yl)-acetamido]phenyl}ethyl)-2-cyclohexylethyl 4-(morpholinomethyl)benzoate 
• 215649-27-7 4-pyrrolidin-1-ylmethyl-benzoyl chloride 

Relevant articles and documents

New acyl derivatives of 3-aminofurazanes and their antiplasmodial activities

An N-acylated furazan-3-amine of a Medicines for Malaria Venture (MMV) project has shown activity against different strains of Plasmodium falciparum. Seventeen new derivatives were prepared and tested in vitro for their activities against blood stages of two strains of Plasmodium falciparum. Several structure–activity relationships were revealed. The activity strongly depended on the nature of the acyl moiety. Only benzamides showed promising activity. The substitution pattern of their phenyl ring affected the activity and the cytotoxicity of compounds. In addition, physicochemical parameters were calculated (log P, log D, ligand efficiency) or determined experimentally (permeability) via a PAMPA. The N-(4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl)-3(trifluoromethyl)benzamide possessed good physicochemical properties and showed high antiplasmodial activity against a chloroquine-sensitive strain (IC50 (NF54) = 0.019 μM) and even higher antiplasmodial activity against a multiresistant strain (IC50 (K1 ) = 0.007 μM). Compared to the MMV compound, the permeability and the activity against the multiresistant strain were improved.

METHODS FOR TREATING PATIENTS WITH CANCER HAVING DEFECTS IN CYCLIN D REGULATION

The present disclosure relates to methods of treating cancer comprising administering Parkin ligase activator or a pharmaceutically acceptable salt thereof to a subject who has a mutant form of a protein in the Rb checkpoint pathway. The Parkin ligase activator includes triazole compounds, such as compounds of formula (I), and pharmaceutically acceptable salts thereof as disclosed herein. R1, R2, R3, M1, M2, M3, L1, L2, and L3 are as defined herein.

Combination of 4-anilinoquinazoline, arylurea and tertiary amine moiety to discover novel anticancer agents

In present study, 4-anilinoquinazolines scaffold, arylurea and tertiary amine moiety were combined to design, synthesize gefitinib analogs and discover novel anticancer agents. A series of 4-anilinoquinazoline derivatives (1, 2, 3 and 4) bearing arylurea and tertiary amine moiety at its 6-position were synthesized. Their antiproliferative activities in vitro were evaluated via MTT assay against A431 cell and A549 cell. The SAR of the title compounds was discussed. The compounds 2d, 2i and 2j with potent antiproliferative activities were evaluated their inhibitory activity against EGFR-TK. Compound 2j displayed potent inhibitory activity against EGFR-TK. In addition, compound 2j, at 50 mg/kg, can completely inhibit cancer growth in established nude mouse A549 xenograft model in vivo. These results suggest that the 4-anilinoquinazoline derivatives bearing diarylurea and tertiary amino moiety at its 6-position can serve as anticancer agents and EGFR inhibitors.