100511-78-2

Basic information

• Product Name: Methyl 3-[4-(aminomethyl)phenyl]propionate
• Synonyms: methyl 3-(4-aminomethylphenyl)propanoate;Methyl 3-[4-(aminomethyl)phenyl]propionate;3-(4-Aminomethylphenyl)propionic acid methyl ester;Benzenepropanoic acid, 4-(aMinoMethyl)-, Methyl ester
• CAS NO: 100511-78-2
• Molecular Formula: C₁₁H₁₅NO₂
• Molecular Weight: 193.24
• Product Categories: Aminomethyl's;Phenyls & Phenyl-Het
• Mol File: 100511-78-2.mol

Chemical Properties

• Boiling Point: 299.4 °C at 760 mmHg
• Flash Point: 155 °C
• Appearance: /
• Density: 1.081 g/cm³
• Vapor Pressure: 0.0012mmHg at 25°C
• Refractive Index: 1.53
• PKA: 9.13±0.10(Predicted)
• CAS DataBase Reference: Methyl 3-[4-(aminomethyl)phenyl]propionate(CAS DataBase Reference)
• NIST Chemistry Reference: Methyl 3-[4-(aminomethyl)phenyl]propionate(100511-78-2)
• EPA Substance Registry System: Methyl 3-[4-(aminomethyl)phenyl]propionate(100511-78-2)

Safety Data

• Hazardous Substances Data: 100511-78-2(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
Methyl 3-[4-(aminomethyl)phenyl]propionate is used as an intermediate in the synthesis of active pharmaceutical ingredients for its ability to contribute to the development of antihistamines and analgesics. Its chemical structure allows for the creation of effective medications that address various health conditions.
Used in Fragrance and Flavor Industry:
MAP is used as a building block in the production of fragrances and flavors due to its unique chemical properties that can enhance or create specific scents and tastes in various consumer products.
Used in Specialty Chemicals:
Methyl 3-[4-(aminomethyl)phenyl]propionate is utilized in the manufacture of specialty chemicals, where its controlled reactivity and versatile chemical structure contribute to the development of high-quality and specialized chemical products.
Used in Organic Chemistry and Drug Development:
Methyl 3-[4-(aminomethyl)phenyl]propionate is used as a versatile building block in organic chemistry, enabling the creation of new chemical entities and facilitating advancements in drug development through its controlled reactions with other chemicals.

InChI:InChI=1/C11H15NO2/c1-14-11(13)7-6-9-2-4-10(8-12)5-3-9/h2-5H,6-8,12H2,1H3

Upstream product

• 67472-79-1 methyl 3-(4-cyanophenyl)propenoate 
• 1643-30-7 3-(4-bromophenyl)propionic acid 
• 75567-84-9 methyl 3-(4-bromopehynl)propanoate 
• 75567-85-0 3-(p-Cyanophenyl)-propansaeuremethylester 
• 42287-94-5 (4-cyanophenyl)propionic acid 
• 68819-84-1 tert-butyl N-(4-bromobenzyl)carbamate 
• 132691-44-2 methyl 4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]benzenepropanoate 
• 3959-07-7 4-Bromobenzylamine 

Downstream Products

• 61629-79-6 β-[4-(5-chloro-2-methoxybenzamidomethyl)-phenyl]-propionic acid 
• 132691-45-3 3-[4-[(tert.Butyloxycarbonylamino)methyl]phenyl]propionic acid 
• 561300-75-2 N-[4-(2-methoxycarbonyl-ethyl)-phenylmethyl]-4-(4'-trifluoromethyl-biphenyl-2-carbonylamino)-1-methyl-pyrrole-2-carboxylic acid amide 

Relevant articles and documents

Discovery of carboxyl-containing biaryl ureas as potent RORγt inverse agonists

GSK805 (1) is a potent RORγt inverse agonist, but a drawback of 1 is its low solubility, leading to a limited absorption in high doses. We have explored detailed structure-activity relationship on the amide linker, biaryl and arylsulfonyl moieties of 1 trying to improve solubility while maintaining RORγt activity. As a result, a novel series of carboxyl-containing biaryl urea derivatives was discovered as potent RORγt inverse agonists with improved drug-like properties. Compound 3i showed potent RORγt inhibitory activity and subtype selectivity with an IC50 of 63.8 nM in RORγ FRET assay and 85 nM in cell-based RORγ-GAL4 promotor reporter assay. Reasonable inhibitory activity of 3i was also achieved in mouse Th17 cell differentiation assay (76percent inhibition at 0.3 μM). Moreover, 3i had greatly improved aqueous solubility at pH 7.4 compared to 1, exhibited decent mouse PK profile and demonstrated some in vivo efficacy in an imiquimod-induced psoriasis mice model.

BIARYL UREA DERIVATIVE OR SALT THEREOF, AND MANUFACTURING AND APPLICATION OF SAME

The present invention discloses a biaryl urea RORγt inhibitor, and specifically relates to a biaryl urea derivative, as represented by formula I, with an RORγt inhibiting activity, and a preparation process thereof, and a pharmaceutical composition comprising the compound. Further disclosed is use of the compound for treating an RORγt-related disease.

Preparation of phenylethylbenzamide derivatives as modulators of DNMT3 activity

DNA-methyltransferases (DNMTs) are a class of epigenetic enzymes that catalyze the transfer of a methyl moiety from the methyl donor S-adenosyl-l-methionine onto the C5 position of cytosine in DNA. This process is dysregulated in cancers and leads to the hypermethylation and silencing of tumor suppressor genes. The development of potent and selective inhibitors of DNMTs is of utmost importance for the discovery of new therapies for the treatment of cancer. We report herein the synthesis and DNMT inhibitory activity of 29 analogues derived from NSC 319745. The effect of selected compounds on the methylation level in the MDA-MB-231 human breast cancer cell line was evaluated using a luminometric methylation assay. Molecular docking studies have been conducted to propose a binding mode for this series.

ALKYNYL ARYL CARBOXAMIDES

The present invention is related to alkynyl aryl carboxamides of Formula (I’) and use thereof for the treatment and/or prevention of an inflammatory disorder, obesity and/or metabolic disorders mediated by insulin resistance or hyperglycemia, comprising diabetes type I and/or II, inadequate glucose tolerance. insulin resistance, hyperlipidemia, hypertriglyceridemia- hypercholesterolemia, polycystic ovary syndrome (PCOS). In particular, the present invention is related to the use of alkynyl aryl carboxamides of Formula (I’) to modulate, notably to inhibit the activity of PTPs. (I’) A is a C2-C15 alkynyl, C2-C6-alkynyl aryl, C2-C6-alkynyl heteroaryl. Cy is an aryl, heteroaryl, cycloalkyl or heterocycle group; n is either 0 or 1. Cy' is an aryl., which may optionally be fused by a 3-8 membered cycloalkyl. R1and R2 are independently from each other is selected from the group consisting of hydrogen or (CI-C6)alkyl. R4and R5 are each independently from each other selected from the group consisting of H, hydroxy. C1 -C6 alkyl, carboxy, C1-C6 alkoxy, C1 -C3 alkyl carboxy, C2-C3 alkenyl carboxy, C2-C3 alkynyl carboxy, amino or R4 and R5 may form an unsaturated or saturated heterocyclic ring, whereby at least one of R4 or R5 is not a hydrogen or C1-C6 alkyl.

Spergualin-related compounds having a phenylene group as well as a process for producing the same

The invention relates to Spergualin-related compounds of the formula: STR1 (wherein R1 is a lower alkylene group which may be substituted by a hydroxymethyl group; X is a hydrogen atom or a halogen atom; m and n are each 0 or an integer of 1 to