A compound's synthetic accessibility (SA) is an important aspect of drug design, since in some cases computer-designed compounds cannot be synthesized. There have been several reports on SA prediction, most of which have focused on the difficulties of synthetic reactions based on retro-synthesis analyses, reaction databases and the availability of starting materials. We developed a new method of predicting SA using commercially available compound databases and molecular descriptors. SA was estimated from the probability of existence of substructures consisting of the compound in question, the number of symmetry atoms, the graph complexity, and the number of chiral centers of the compound. The probabilities of the existence of given substructures were estimated based on a compound library. The predicted SA results reproduced the expert manual assessments with a Pearson correlation coefficient of 0.56. Since our method required a compound database and not a reaction database, it should be easy to customize the prediction for compound vendors. The correlation between the sales price of approved drugs and the SA values was also examined and found to be weak. The price most likely depends on the total cost of development and other factors.

01 Jan 1973·YAKUGAKU ZASSHIQ4 · MEDICINE

Studies on Doping Test by Gas Chromatography-Mass Spectrometry. IV. Gas Chromatography and Mass Spectrometry of Local Anesthetics

Q4 · MEDICINE

Article

Author: Momose, Atsushi ; Murata, Masayasu ; Kamei, Katsutoshi ; Suzuki, Riiko

A satisfactory separation of 14 local anesthetics such as benzocaine [94-09-7], lidocaine [137-58-6], dibucaine [85-79-0] and cocaine [50-36-2] was achieved by gas chromatog. using 2% OV-17, 3% XE-60, and 0.5% Thermal-3 columns.In the mass spectra of these drugs, the mol. ion appeared as the peaks with a low intensity except in the case of benzocaine, cocaine, and tropacocaine [537-26-8].Most of the intensive peaks were present in the relatively low mass region.Many characteristic fragments based on the structure of these drugs were observedCombination of gas chromatog. and mass spectrometry appears to be a useful way for the determination of anesthetics in body fluids.

01 Jan 1963·Folia Pharmacologica Japonica

On the antispasmodic action of new compounds possessing an aminoacylamino side chain

Article

Author: Nanya, Hirokazu

Derivatives of Et 4-(aminoacylamido)benzoate were pharmacol. examinedEt 4-(2-piperidinopropionamido)benzoate (I), Et 4-(piperidinoacetamido)benzoate and Et 4-(2-butylaminopropionamido)benzoate showed a spasmolytic activity comparable with avacan in the excised guinea-pig intestine contracted by BaCl₂ or acetylcholine.They lacked obvious effects on blood pressure and pilocarpine-induced salivation in rabbits and on pupil size in mice.Antispasmodic activity was not increased by converting tertiary amine compounds into quaternary ammonium salts.However, some onium compounds showed ganglionic blocking action as potent as hexamethonium in the sympathetic-nictitating membrane system in cats.Subcutaneous L.D.₅₀ for mice of I-HCl was 1.2 g./kg. and that of I MeBr was 170 mg./kg.

100 Deals associated with Ethyl Piperidinoacetylaminobenzoate

R&D Status

10 top approved records.

to view more data

Indication	Country/Location	Organization	Date
Gastritis	Japan	Nippon Shinyaku Co., Ltd.	31 Aug 2007

Clinical Result

Indication

Phase

Evaluation

View All Results

Translational Medicine

Boost your research with our translational medicine data.

view full example data

Deal

Boost your decision using our deal data.

view full example data

Core Patent

Boost your research with our Core Patent data.

view full example data

Clinical Trial

Identify the latest clinical trials across global registries.

view full example data

Approval

Accelerate your research with the latest regulatory approval information.

view full example data

Regulation

Understand key drug designations in just a few clicks with Synapse.

view full example data

Chat with Hiro

Get started for free today!

Accelerate Strategic R&D decision making with Synapse, PatSnap’s AI-powered Connected Innovation Intelligence Platform Built for Life Sciences Professionals.

Start your data trial now!

Synapse data is also accessible to external entities via APIs or data packages. Empower better decisions with the latest in pharmaceutical intelligence.

Bio

Bio Sequences Search & Analysis

Chemical

Chemical Structures Search & Analysis


No Data

Ethyl Piperidinoacetylaminobenzoate

Overview

Basic Info

Structure/Sequence

Related

R&D Status

Clinical Result

Translational Medicine

Deal

Core Patent

Clinical Trial

Approval

Regulation