91511-38-5

Basic information

• Product Name: 2H-Tetrazole-5-carboxylicacid,2-methyl-,ethylester(6CI,9CI)
• Synonyms: 2H-Tetrazole-5-carboxylicacid,2-methyl-,ethylester(6CI,9CI);ethyl 2-Methyl-2H-tetrazole-5-carboxylate
• CAS NO: 91511-38-5
• Molecular Formula: C₅H₈N₄O₂
• Molecular Weight: 156.14262
• Product Categories: GLYCINESCAFFOLD
• Mol File: 91511-38-5.mol

Chemical Properties

• Boiling Point: 104.5-105.5 °C(Press: 2 Torr)
• Appearance: /
• Density: 1.2172 g/cm3(Temp: 25 °C)
• PKA: 0.81±0.10(Predicted)
• CAS DataBase Reference: 2H-Tetrazole-5-carboxylicacid,2-methyl-,ethylester(6CI,9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 2H-Tetrazole-5-carboxylicacid,2-methyl-,ethylester(6CI,9CI)(91511-38-5)
• EPA Substance Registry System: 2H-Tetrazole-5-carboxylicacid,2-methyl-,ethylester(6CI,9CI)(91511-38-5)

Safety Data

• Hazardous Substances Data: 91511-38-5(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
2H-Tetrazole-5-carboxylic acid, 2-methyl, ethyl ester (6CI, 9CI) is used as a building block for the synthesis of pharmaceuticals. Its unique properties make it a valuable component in the development of new drugs and medications.
Used in Agrochemical Industry:
2H-Tetrazole-5-carboxylic acid, 2-methyl, ethyl ester (6CI, 9CI) is also used as a building block in the synthesis of agrochemicals. Its versatility allows for the creation of various agrochemical products, contributing to the development of effective solutions for agricultural applications.
Used in Medicinal Chemistry:
2H-Tetrazole-5-carboxylic acid, 2-methyl, ethyl ester (6CI, 9CI) is used as a versatile intermediate in medicinal chemistry. Its unique properties enable the production of a wide range of derivatives with different properties and applications, making it an essential component in the development of new therapeutic agents.
Used in Materials Science:
2H-Tetrazole-5-carboxylic acid, 2-methyl, ethyl ester (6CI, 9CI) is utilized in materials science for the development of new materials with specific properties. Its unique characteristics make it a valuable component in the creation of innovative materials for various applications.

Upstream product

• 74-88-4 methyl iodide 
• 55408-10-1 1H-tetrazole-5-carboxylic acid ethyl ester 
• 13175-00-3 2-methyl-2H-1,2,3,4-tetrazole-5-carboxylic acid 
• 64-17-5 ethanol 
• 186581-53-3 diazomethane 

Downstream Products

• 114841-40-6 methyl (2-methyltetrazol-5-yl) ketone 
• 55408-40-7 (2-methyl-2H-tetrazol-5-yl)methanol 
• 101092-47-1 (2-methyl-2H-tetrazol-5-yl)-diphenyl-methanol 
• 13175-00-3 2-methyl-2H-1,2,3,4-tetrazole-5-carboxylic acid 
• 77689-87-3 1-methyl-1H-tetrazole-5-carboxylic acid 
• 118765-92-7 bis-biphenyl-4-yl-(2-methyl-2H-tetrazol-5-yl)-methanol 

Relevant articles and documents

Discovery of Aficamten (CK-274), a Next-Generation Cardiac Myosin Inhibitor for the Treatment of Hypertrophic Cardiomyopathy

Hypercontractility of the cardiac sarcomere may be essential for the underlying pathological hypertrophy and fibrosis in genetic hypertrophic cardiomyopathies. Aficamten (CK-274) is a novel cardiac myosin inhibitor that was discovered from the optimization of indoline compound 1. The important advancement of the optimization was discovery of an Indane analogue (12) with a less restrictive structure-activity relationship that allowed for the rapid improvement of drug-like properties. Aficamten was designed to provide a predicted human half-life (t1/2) appropriate for once a day (qd) dosing, to reach steady state within two weeks, to have no substantial cytochrome P450 induction or inhibition, and to have a wide therapeutic window in vivo with a clear pharmacokinetic/pharmacodynamic relationship. In a phase I clinical trial, aficamten demonstrated a human t1/2 similar to predictions and was able to reach steady state concentration within the desired two-week window.

SUBSTITUTED TETRAHYDROCYCLOPENTA[C]PYRROLES, SUBSTITUTED DIHYDROPYRROLIZINES, ANALOGUES THEREOF, AND METHODS USING SAME

The present invention includes novel substituted bicyclic compounds, and compositions comprising the same, that can be used to treat or prevent hepatitis B virus (HBV) infection and/or hepatitis D virus (HDV) infection in a patient.

DIHYDROBENZOFURAN AND INDEN ANALOGS AS CARDIAC SARCOMERE INHIBITORS

Provided are compounds of Formula (I), or a pharmaceutically acceptable salt thereof, wherein A, Z, B, R1, R2, R3, G1, G2, and G3 are as defined herein. Also provided is a pharmaceutically acceptable composition comprising a compound of Formula (I), or a pharmaceutically acceptable salt thereof Also provided are methods of using a compound of Formula (I), or a pharmaceutically acceptable salt, thereof for use in methods of treatment heart diseases through cardiac sarcomere inhibtion.

HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS

A compound represented by the formula (I): wherein Z1,Z2,Z3 and Z4 are the following combination, (Z1,Z2,Z3,Z4)=(CR4,N,CR5,C), (N,N,CR5,C), (N,C,CR5,N), (S,C,CR5,C) or (S,C,N,C); R1 and R2 are the same or different and each is (1) a hydrogen atom, (2) a halogen atom, (3) a group bonded via a carbon atom, (4) a group bonded via a nitrogen atom, (5) a group bonded via an oxygen atom or (6) a group bonded via a sulfur atom; R 3 is an amino optionally having substituent(s); R4 and R 5 are the same or different and each is (1) a hydrogen atom, (2) a halogen atom, (3) a group bonded via a carbon atom, (4) a group bonded via a nitrogen atom, (5) a group bonded via an oxygen atom or (6) a group bonded via a sulfur atom; R3 and R4 optionally form a ring optionally having substituent(s); and a group represented by the formula (A) is a cyclic group optionally having substituent(s), or a salt thereof

QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS

The present invention relates to novel quinolones of Formula I that inhibit inducible NOS synthase together with methods of synthesizing and using the compounds including methods for inhibiting or modulating nitric oxide synthesis and/or lowering nitric oxide levels in a patient by administering the compounds for the treatment of disease.

Positional Selectivity of the Methylation of 5-Substituted Tetrazolate Anions

The methylation of a series of 15 sodium 5-substituted tetrazolates using iodomethane in acetone/water (4:1) has been studied.The reaction yields both 1- and 2-methyl products, and the ratio of these products is discussed in terms of the nature of the 5-substituent.Electronic and steric effects dominate the reaction pathway; both increased substituent electronegativity and steric bulk lead to predominant methylation at N 2.Sodium 5-ethoxycarbonyltetrazolate (3n) goes against this trend and an intermediate is proposed where the incoming electrophile is associated with the ester carbonyl group.