6232-12-8

Basic information

• Product Name: Benzoic acid, 4-(aminomethyl)-, ethyl ester, hydrochloride (1:1)
• Synonyms: Benzoic acid, 4-(aminomethyl)-, ethyl ester, hydrochloride (1:1);4-(aMinoMethyl)-Benzoic acid ethyl ester hydrochloride;4-(AMinoMethyl)-benzoic acid ethyl ester HCl;ethyl 4-(aminomethyl)benzoate hydrochloride;4-Aminomethyl-benzoesaeure-aethylester,Hydrochlorid
• CAS NO: 6232-12-8
• Molecular Formula: C₁₀H₁₃NO₂*ClH
• Molecular Weight: 215.67666
• Mol File: 6232-12-8.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 293.9°C at 760 mmHg
• Flash Point: 150.6°C
• Appearance: /
• Density: 1.093g/cm³
• Vapor Pressure: 0.00168mmHg at 25°C
• Refractive Index: 1.536
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• CAS DataBase Reference: Benzoic acid, 4-(aminomethyl)-, ethyl ester, hydrochloride (1:1)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 4-(aminomethyl)-, ethyl ester, hydrochloride (1:1)(6232-12-8)
• EPA Substance Registry System: Benzoic acid, 4-(aminomethyl)-, ethyl ester, hydrochloride (1:1)(6232-12-8)

Safety Data

• Hazardous Substances Data: 6232-12-8(Hazardous Substances Data)

Usage

General Description

Benzoic acid, 4-(aminomethyl)-, ethyl ester, hydrochloride (1:1) is a chemical compound that is commonly used as a pharmaceutical intermediate and a building block for the synthesis of various pharmaceutical compounds. It is a hydrochloride salt of ethyl 4-(aminomethyl)benzoate, which is a white to off-white crystalline powder with a molecular formula of C10H14ClNO2. Benzoic acid, 4-(aminomethyl)-, ethyl ester, hydrochloride (1:1) is often used as an intermediate in the synthesis of local anesthetics and antihistamines, as well as in the production of various pharmaceuticals. It is important to handle and use this chemical compound with caution, following proper safety protocols and guidelines to avoid any potential health hazards.

InChI:InChI=1/C10H13NO2/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-6H,2,7,11H2,1H3

Upstream product

• 56-91-7 p-aminomethylbenzoic acid 
• 64-17-5 ethanol 

Downstream Products

• 41931-39-9 4-(5-benzyl-6-thioxo-[1,3,5]thiadiazinan-3-ylmethyl)-benzoic acid ethyl ester 
• 62976-62-9 4-({[1-((1Z,4Z,9Z,15Z)-2,7,12,17-Tetraethyl-3,8,13,18-tetramethyl-porphyrin-5-yl)-meth-(E)-ylidene]-amino}-methyl)-benzoic acid ethyl ester 
• 219922-49-3 ethyl 4-<2-<<2-<5-chloro-2-(1-piperidinyl)phenyl>propanoyl>amino>methyl>benzoate 
• 131065-88-8 N,N-bis(p-ethyloxycarbonylbenzyl)amine 
• 114208-66-1 4-{[((1Z,4Z,9Z,15Z)-2,7,12,17-Tetraethyl-3,8,13,18-tetramethyl-porphyrin-5-ylmethyl)-amino]-methyl}-benzoic acid ethyl ester 
• 889651-03-0 4-(4-chloro-naphthalimidyl-methyl)benzoic acid ethyl ester 
• 1141446-22-1 ethyl 4-((2-(4-fluorophenyl)-3-(3,4,5 trimethoxyphenyl)acrylamido)methyl)benzoate 
• 157311-42-7 4-tert-butoxycarbonylaminomethylbenzoic acid ethyl ester 

Relevant articles and documents

Rad51/BRCA2 disruptors inhibit homologous recombination and synergize with olaparib in pancreatic cancer cells

Olaparib is a PARP inhibitor (PARPi). For patients bearing BRCA1 or BRCA2 mutations, olaparib is approved to treat ovarian cancer and in clinical trials to treat breast and pancreatic cancers. In BRCA2-defective patients, PARPi inhibits DNA single-strand break repair, while BRCA2 mutations hamper double-strand break repair. Recently, we identified a series of triazole derivatives that mimic BRCA2 mutations by disrupting the Rad51-BRCA2 interaction and thus double-strand break repair. Here, we have computationally designed, synthesized, and tested over 40 novel derivatives. Additionally, we designed and conducted novel biological assays to characterize how they disrupt the Rad51-BRCA2 interaction and inhibit double-strand break repair. These compounds synergized with olaparib to target pancreatic cancer cells with functional BRCA2. This supports the idea that small organic molecules can mimic genetic mutations to improve the profile of anticancer drugs for precision medicine. Moreover, this paradigm could be exploited in other genetic pathways to discover innovative anticancer targets and drug candidates.