Welcome to LookChem.com Sign In|Join Free

CAS

  • or
3-AMINO-1-BENZYL-1H-PYRAZOLE-4-CARBONITRILE, commonly referred to as ABPC, is a pyrazole derivative characterized by its molecular formula C12H11N5. This chemical compound features a carbonitrile functional group and an amino group at the 3-position of the benzyl ring. ABPC is recognized for its structural flexibility and synthetic utility, making it a valuable intermediate in the synthesis of a wide array of pharmaceuticals, agrochemicals, and other organic compounds. Its role as a building block in the development of new chemical entities with potential biological activities underscores its importance in medicinal chemistry and drug discovery.

122800-01-5 Suppliers

Post Buying Request

Recommended suppliersmore

  • Product
  • FOB Price
  • Min.Order
  • Supply Ability
  • Supplier
  • Contact Supplier
  • 122800-01-5 Structure
  • Basic information

    1. Product Name: 3-AMINO-1-BENZYL-1H-PYRAZOLE-4-CARBONITRILE
    2. Synonyms: 3-AMINO-1-BENZYL-1H-PYRAZOLE-4-CARBONITRILE
    3. CAS NO:122800-01-5
    4. Molecular Formula: C11H10N4
    5. Molecular Weight: 198.23
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 122800-01-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 444.421°C at 760 mmHg
    3. Flash Point: 222.578°C
    4. Appearance: /
    5. Density: 1.226g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.65
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: 3-AMINO-1-BENZYL-1H-PYRAZOLE-4-CARBONITRILE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-AMINO-1-BENZYL-1H-PYRAZOLE-4-CARBONITRILE(122800-01-5)
    12. EPA Substance Registry System: 3-AMINO-1-BENZYL-1H-PYRAZOLE-4-CARBONITRILE(122800-01-5)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 122800-01-5(Hazardous Substances Data)

122800-01-5 Usage

Uses

Used in Pharmaceutical Industry:
3-AMINO-1-BENZYL-1H-PYRAZOLE-4-CARBONITRILE is used as a versatile intermediate for the synthesis of various pharmaceuticals. Its unique structure allows for the creation of new chemical entities with potential therapeutic applications, contributing to the development of novel drugs.
Used in Agrochemical Industry:
In the agrochemical sector, 3-AMINO-1-BENZYL-1H-PYRAZOLE-4-CARBONITRILE serves as a key intermediate in the production of agrochemicals. Its ability to be incorporated into various chemical structures makes it instrumental in the formulation of new pesticides and other agricultural chemicals.
Used in Organic Chemistry Research:
3-AMINO-1-BENZYL-1H-PYRAZOLE-4-CARBONITRILE is utilized as a building block in organic chemistry for the exploration of new chemical reactions and the synthesis of complex organic compounds. Its presence in research settings facilitates the discovery of innovative synthetic pathways and the creation of new organic molecules with unique properties.
Used in Medicinal Chemistry and Drug Discovery:
ABPC is employed as a structural component in the design and synthesis of new drugs. Its synthetic utility and structural flexibility make it an essential tool in medicinal chemistry for the development of compounds with potential biological activities, thereby contributing to the advancement of drug discovery efforts.

Check Digit Verification of cas no

The CAS Registry Mumber 122800-01-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,2,8,0 and 0 respectively; the second part has 2 digits, 0 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 122800-01:
(8*1)+(7*2)+(6*2)+(5*8)+(4*0)+(3*0)+(2*0)+(1*1)=75
75 % 10 = 5
So 122800-01-5 is a valid CAS Registry Number.
InChI:InChI=1/C11H10N4/c12-6-10-8-15(14-11(10)13)7-9-4-2-1-3-5-9/h1-5,8H,7H2,(H2,13,14)

122800-01-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-amino-1-benzylpyrazole-4-carbonitrile

1.2 Other means of identification

Product number -
Other names 3-Amino-1-(phenylmethyl)-1H-pyrazole-4-carbonitrile

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:122800-01-5 SDS

122800-01-5Relevant articles and documents

AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF

-

Page/Page column 147, (2012/03/26)

Provided herein are azolopyridine and azolopyrimidine compounds for treatment of JAK kinase mediated diseases, including JAK2 kinase-, JAK3 kinase- or TYK2 kinase-mediated diseases. Also provided are pharmaceutical compositions comprising the compounds and methods of using the compounds and compositions.

New application of heterocyclic diazonium salts. Synthesis of pyrazolo[3,4-d][1,2,3]triazin-4-ones and imidazo[4,5-d][1,2,3]triazin-4-ones

Colomer, Juan Pablo,Moyano, Elizabeth Laura

supporting information; scheme or table, p. 1561 - 1565 (2011/05/05)

The pyrazolo[3,4-d][1,2,3]triazin-4-ones 3 and imidazo[4,5-d][1,2,3] triazin-4-ones 4 are analogs structurally related to purines that have showed a wide and significant variety of biological activity. These compounds were synthesized by one-pot diazotization of 5-amino-1H-pyrazole-4-carbonitriles 1 and 5-amino-1H-imidazole-4-carbonitriles 2, respectively.

Adenosine A3 receptor modulators

-

, (2008/06/13)

The compounds of the following formula: wherein R, R2, R3 and A have the meanings given in the specification, are endowed with selective A3 adenosine receptor antagonist activity. These compounds can be used in a pharmaceu

Novel, highly potent adenosine deaminase inhibitors containing the pyrazolo[3,4-d]pyrimidine ring system. Synthesis, structure-activity relationships, and molecular modeling studies

Da Settimo, Federico,Primofiore, Giampaolo,La Motta, Concettina,Taliani, Sabrina,Simorini, Francesca,Marini, Anna Maria,Mugnaini, Laura,Lavecchia, Antonio,Novellino, Ettore,Tuscano, Daniela,Martini, Claudia

, p. 5162 - 5174 (2007/10/03)

This study reports the synthesis of a number of 1- and 2-alkyl derivatives of the 4-aminopyrazolo[3,4-d]pyrimidine (APP) nucleus and their evaluation as inhibitors of ADA from bovine spleen. The 2-substituted aminopyrazolopyrimidines proved to be potent inhibitors, most of them exhibiting Ki values in the nanomolar/subnanomolar range. In this series the inhibitory activity is enhanced with the increase in length of the alkyl chain, reaching a maximum with the n-decyl substituent. Insertion of a 2′-hydroxy group in the ra-decyl chain gave 3k, whose (R)-isomer displayed the highest inhibitory potency of the series (Ki 0.053 nM), showing an activity 2 orders of magnitude higher than that of (+)-EHNA (Ki 1.14 nM), which was taken as the reference standard. Docking simulations of aminopyrazolopyrimidines into the ADA binding site were also performed, to rationalize the structure-activity relationships of this class of inhibitors.

Adenosine A3 receptor modulators

-

, (2008/06/13)

The compounds of the following formula: wherein R, R2, R3 and A have the meanings given in the specification, are endowed with selective A3 adenosine receptor antagonist activity. These compounds can be used in a pharmaceu

Adenosine A3 receptor modulators

-

, (2008/06/13)

The compounds of the following formula: wherein R, R1, R2R3and A have the meanings given in the specification, are endowed with selective A3adenosine receptor agonist activity. These compounds can be used in a p

Synthesis and Pharmacological Evaluation of a Series of 4-Piperazinylpyrazolo- and -benzodiazepines as Potential Anxiolytics

Chakrabarti, Jiban K.,Hotten, Terrence M.,Pullar, Ian A.,Tye, Nicholas C.

, p. 2573 - 2582 (2007/10/02)

The synthesis and pharmacological evaluation of a series of pyrazolobenzodiazepines are described.Some of the 4-piperazinyl-2,10-dihydropyrazolobenzodiazepine derivatives demonstrated potent anxiolytic activity in the three-part operan

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 122800-01-5