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4-Amino-1-benzylpiperidine-4-carbonitrile is a versatile chemical compound and a piperidine derivative characterized by the presence of a benzyl group and a cyano group attached to the carbon atom at the 4-position. It serves as a crucial building block in the synthesis of a range of pharmaceutical substances, including antipsychotics, antidepressants, and analgesics. Its structural attributes and functional groups render it a valuable intermediate in the development of novel drug candidates, playing a significant role in drug discovery and development.

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  • 136624-42-5 Structure
  • Basic information

    1. Product Name: 4-AMINO-1-BENZYLPIPERIDINE-4-CARBONITRILE
    2. Synonyms: 4-AMINO-1-BENZYLPIPERIDINE-4-CARBONITRILE;4-Piperidinecarbonitrile, 4-amino-1-(phenylmethyl)-
    3. CAS NO:136624-42-5
    4. Molecular Formula: C13H17N3
    5. Molecular Weight: 215.3
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 136624-42-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 358.0±42.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.12±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
    8. Solubility: N/A
    9. PKA: 6.22±0.10(Predicted)
    10. CAS DataBase Reference: 4-AMINO-1-BENZYLPIPERIDINE-4-CARBONITRILE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4-AMINO-1-BENZYLPIPERIDINE-4-CARBONITRILE(136624-42-5)
    12. EPA Substance Registry System: 4-AMINO-1-BENZYLPIPERIDINE-4-CARBONITRILE(136624-42-5)
  • 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: 136624-42-5(Hazardous Substances Data)

136624-42-5 Usage

Uses

Used in Pharmaceutical Industry:
4-Amino-1-benzylpiperidine-4-carbonitrile is used as a key intermediate in the synthesis of various pharmaceutical substances for its potential to contribute to the development of antipsychotics, antidepressants, and analgesics. Its unique structure and functional groups enable the creation of new therapeutic agents with improved efficacy and safety profiles.
Used in Drug Discovery and Development:
As a precursor in the production of novel drug candidates, 4-Amino-1-benzylpiperidine-4-carbonitrile is utilized in the exploration of new chemical entities with potential therapeutic applications. Its versatility as a chemical intermediate aids researchers in the design and synthesis of innovative pharmaceutical compounds, enhancing the drug discovery process and contributing to advancements in medicinal chemistry.

Check Digit Verification of cas no

The CAS Registry Mumber 136624-42-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,6,6,2 and 4 respectively; the second part has 2 digits, 4 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 136624-42:
(8*1)+(7*3)+(6*6)+(5*6)+(4*2)+(3*4)+(2*4)+(1*2)=125
125 % 10 = 5
So 136624-42-5 is a valid CAS Registry Number.

136624-42-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Amino-1-benzylpiperidine-4-carbonitrile

1.2 Other means of identification

Product number -
Other names 4-AMINO-1-BENZYLPIPERIDINE-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:136624-42-5 SDS

136624-42-5Relevant articles and documents

Design and Synthesis of Fsp3-Rich, Bis-Spirocyclic-Based Compound Libraries for Biological Screening

Stotani, Silvia,Lorenz, Christoph,Winkler, Matthias,Medda, Federico,Picazo, Edwige,Ortega Martinez, Raquel,Karawajczyk, Anna,Sanchez-Quesada, Jorge,Giordanetto, Fabrizio

supporting information, p. 330 - 336 (2016/07/06)

The exploration of innovative chemical space is a critical step in the early phases of drug discovery. Bis-spirocyclic frameworks occur in natural products and other biologically relevant metabolites and show attractive features, such as molecular compactness, structural complexity, and three-dimensional character. A concise approach to the synthesis of bis-spirocyclic-based compound libraries starting from readily available commercial reagents and robust chemical transformations has been developed. A number of novel bis-spirocyclic scaffold examples, as implemented in the European Lead Factory project, is presented.

IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER

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Paragraph 0723; 0724, (2015/04/15)

Disclosed are compounds, compositions and methods for treating various diseases, syndromes, conditions and disorders, including those mediated by inhibition of fatty acid synthase (FASN) enzyme, such as, cancer, obesity or related discorders, and liver related disorders. Such compounds are represented by formula (I) as follows: wherein L1, a, b, m, n, R1, R2, R3, R4, and R5 are defined herein.

Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases

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Paragraph 2475, (2015/09/22)

The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

IMIDAZOLIN-5-ONE DERIVATIVES USEFUL AS FATTY ACID SNTHASE (FASN) INHIBITORS FOR|THE TREATMENT OF CANCER

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Page/Page column 286-287, (2014/03/26)

Disclosed are compounds, compositions and methods for treating various diseases, syndromes, conditions and disorders, including those mediated by inhibition of fatty acid synthase (FASN) enzyme, such as, cancer, obesity or related disorders, and liver related disorders. Such compounds are represented by formula (I) as follows: wherein L1, a, b, m, n, R1, R2, R3, R4, and R5 are defined herein.

Design and synthesis of potent antagonists containing rigid spirocyclic privileged structures for the CGRP receptor

Chaturvedula, Prasad V.,Pin, Sokhom,Tholady, George,Conway, Charlie M.,MacOr, John E.,Dubowchik, Gene M.

scheme or table, p. 4719 - 4722 (2012/08/13)

We report the synthesis of rigid spirocyclic systems as conformationally constrained variants of the Ala-Phe-NH2 dipeptide amide C-terminus of the calcitonin gene-related peptide (CGRP). CGRP receptor antagonists containing these moieties displ

COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES

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, (2012/04/23)

The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

Organic Compounds

-

Page/Page column 108, (2010/06/14)

A compound of Formula I in free or salt or solvate form, where R1, R2, R3, R4, R5, R6, R7, R8, R9, R10 and R11 have the meanings as indicated in the specification, is useful for treating diseases which respond to the blockade of the epithelial sodium channel. Pharmaceutical compositions that contain the compounds and processes for preparing the compounds are also described.

Identification of a novel class of succinyl-nitrile-based Cathepsin S inhibitors

Bekkali, Younes,Thomson, David S.,Betageri, Raj,Emmanuel, Michel J.,Hao, Ming-Hong,Hickey, Eugene,Liu, Weimin,Patel, Usha,Ward, Yancey D.,Young, Erick R.R.,Nelson, Richard,Kukulka, Alison,Brown, Maryanne L.,Crane, Kathy,White, Della,Freeman, Dorothy M.,Labadia, Mark E.,Wildeson, Jessi,Spero, Denice M.

, p. 2465 - 2469 (2008/03/11)

The synthesis and in vitro activities of a series of succinyl-nitrile-based inhibitors of Cathepsin S are described. Several members of this class show nanomolar inhibition of the target enzyme as well as cellular potency. The inhibitors displaying the greatest potency contain N-alkyl substituted piperidine and pyrrolidine rings spiro-fused to the α-carbon of the P1 residue.

Spiro-rifamycin derivatives targeting RNA polymerase

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Page/Page column 17, (2008/06/13)

Compounds of the current invention relate to rifamycin derivatives having antimicrobial activities, including activities against drug-resistant microorganisms. More specifically, compounds of the current invention relate to a series of novel spiro rifamycin derivatives which have demonstrated potent antimicrobial activity.

SUBSTITUTED OXIMES AS NEUROKININ ANTAGONISTS

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Page 17, (2010/02/05)

Compounds within the genus represented by structural formula (I) or a pharmaceutically acceptable salt thereof, wherein: T is substituted phenyl or substituted pyridyl; R is H, methyl, ethyl, -CH2CN, -CH2C(O)NH2, -(CH2)3SO3H, -CH2C(O)NHCH3, -CH2C(O)NHOH, -CH2C(O)NHOCH3, -CH2C(O)NHCH2CN, -CH2F, -CH2C(O)NHCH2SO3H, (a), (b), (c), (d) or (e); R is methyl or ethyl; and Z is substituted piperidinyl.

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