91721-16-3

Basic information

• Product Name: 4-(4-CHLOROPHENYL)PIPERIDINE-4-CARBONITRILE
• Synonyms: 4-(4-CHLOROPHENYL)PIPERIDINE-4-CARBONITRILE
• CAS NO: 91721-16-3
• Molecular Formula: C₁₂H₁₃ClN₂
• Molecular Weight: 220.69802
• Mol File: 91721-16-3.mol

Chemical Properties

• Melting Point: 77-78.5 °C
• Boiling Point: 370.1°C at 760 mmHg
• Flash Point: 177.6°C
• Appearance: /
• Density: 1.2g/cm³
• Vapor Pressure: 1.13E-05mmHg at 25°C
• Refractive Index: 1.58
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 8.95±0.10(Predicted)
• CAS DataBase Reference: 4-(4-CHLOROPHENYL)PIPERIDINE-4-CARBONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(4-CHLOROPHENYL)PIPERIDINE-4-CARBONITRILE(91721-16-3)
• EPA Substance Registry System: 4-(4-CHLOROPHENYL)PIPERIDINE-4-CARBONITRILE(91721-16-3)

Safety Data

• Hazardous Substances Data: 91721-16-3(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Research:
4-(4-Chlorophenyl)piperidine-4-carbonitrile is used as a precursor or intermediate for the synthesis of biologically active molecules, contributing to the development of new pharmaceuticals.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, 4-(4-CHLOROPHENYL)PIPERIDINE-4-CARBONITRILE is utilized for its potential to form the basis of new drug candidates, given its unique structural features and the possibility of further chemical modifications to enhance its therapeutic properties.
Used in Drug Synthesis:
4-(4-Chlorophenyl)piperidine-4-carbonitrile is employed as a key component in the synthesis of drugs, where its chemical properties can be leveraged to create molecules with specific therapeutic targets and mechanisms of action.
Used in Chemical Intermediates Production:
As a chemical intermediate, 4-(4-CHLOROPHENYL)PIPERIDINE-4-CARBONITRILE is used in the production of other complex organic compounds, which may have applications in various industries, including pharmaceuticals, agrochemicals, and materials science.

InChI:InChI=1/C12H13ClN2/c13-11-3-1-10(2-4-11)12(9-14)5-7-15-8-6-12/h1-4,15H,5-8H2

Upstream product

• 821-48-7 bis-(2-chloroethyl)amine hydrochloride 
• 140-53-4 p-chlorobenzyl cyanide 
• 644981-92-0 4-(4-chlorophenyl)-4-cyano-1-(3,4-dimethoxybenzyl)piperidine 
• 218451-34-4 4-(4-chloro-phenyl)-4-cyano-piperidine-1-carboxylic acid tert-butyl ester 

Downstream Products

• 218451-40-2 (+)-3-(3-(4-Aminocarbonyl-4-(4-chloro)phenylpiperidin-1-yl)-propyl)aminocarbonyl-4-(3,4-difluoro)phenyl-2-oxazolidinone 
• 644981-94-2 4-(4-chloro-phenyl)-piperidine-1,4-dicarboxylic acid mono-tert-butyl ester 
• 887129-04-6 4-(4-chloro-phenyl)-piperidine-1,4-dicarboxylic acid mono-(9H-fluoren-9-ylmethyl) ester 
• 917925-59-8 tert-butyl 4-amino-4-(4-chlorophenyl)piperidine-1-carboxylate 
• 934347-27-0 1-[2-(4-chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetyl]-4-(4-chloro-phenyl)-piperidine-4-carbonitrile 

Relevant articles and documents

CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF

Disclosed are novel compounds and a method of treating a disease associated with aberrant leukocyte recruitment and/or activation. The method comprises administering to a subject in need an effective amount of a compound represented by: or physiologically acceptable salt thereof.

CHEMOKING RECEPTOR ANTAGONISTS

Disclosed herein are chemokine receptor antagonists of formula (I) wherein G1, X1, X2, and X3 are as defined in the specification. Compositions comprising such compounds; and methods for treating conditions and disorders using such compounds and compositions are also described.

Piperidine derivatives and methods of use

Compounds are provided that act as potent antagonists of the CCR1 receptor, and have in vivo anti-inflammatory activity. The compounds are generally monocyclic and bicyclic compounds and are useful in pharmaceutical compositions, methods for the treatment

PHARMACEUTICAL COMPOUNDS

The invention provides a compound of the formula (I) or a salt, solvate, tautomer or N-oxide thereof; wherein A is a saturated hydrocarbon linker group; E is a monocyclic or bicyclic carbocyclic or heterocyclic group; L1 is a bond or a linker selected from C1-C4 alkenylene, C1-C4 alkynylene, -CONR’, -NR’CO, -S, -C(O)-, -C(NR11)-, -C(S)-, -N(R11)2, C(=CHR11), -SO- and -SO2-; or L1 together with t R16 forms and 8-12 membered fused bicyclic heteroaryl ring system; L3 is a bond or a linker selected from CONH and HNCO; provided that L1 and L3 cannot both be linkers simultaneously; and provided also that L1 and L3 cannot both be a bond simultaneously; R16 is an optionally substituted 5- to 12-membered monocyclic or bicyclic carbocyclic or heterocyclic ring; L2 is absent or is a linker selected from C]-C4 alkylene, Ci-C4 alkenylene, Ci-C4 alkynylene, -CONR’-, -NR’CO-, -O-, -S-, -C(O)-, C(=CHR11), C(S)-, -N(R11)2, C3-4 cycloalkanediyl, -SO- and -SO2-; R17 is absent or is C1-6 alkyl or an optionally substituted 5 to 12 membered carbocyclic or heterocyclic ring; provided that when R17 is absent, then L2 is also absent; and R2, R3, R4, R5, R11 and R’ are as defined in the claims.

PHARMACEUTICAL COMPOUNDS

The invention provides a compound of the formula (I) or a salt, solvate, tautomer or N-oxide thereof for use in the treatment or prophylaxis of a disease state or condition mediated by protein kinase A and/or protein kinase B, wherein the ring Q is a benzene ring; J2-J1 is N=CR7 or R1aN-CO; G is OH or NR5R6; E is CONR7, NR7CO, C(R8)=C(R8) or (X)m(CR8R8a)n where X is O, S or NR7; provided that when J2-J1 is R1aN-CO, E is other than NR7CO; m and n are each 0 or 1, where m + n = 1 or 2; A is a bond and R4 and R4a are absent, or A is a saturated optionally substituted C1-7 hydrocarbon linker group having a maximum chain length of 5 atoms extending between E and G, one carbon atom in the linker group A being optionally replaced by O or N; R1,Rla, R2, and R3 are each H; halogen; C1-6 hydrocarbyl optionally substituted by halogen, OH or C1-2 alkoxy; CN; CONHR8; NH2; NHCOR10 or NHCONHR10; R4 is H or C1-4 alkyl; R4a is H, C1-4 alkyl or a group R9; R5 and R6 are each selected from H, R9 and C1-4 hydrocarbyl optionally substituted by halogen, C1-2 alkoxy or R9;or NR5R6 forms a saturated 4-7 membered monocyclic heterocyclic group; R7 is H or C1-4 alkyl; R8 and R8a each H or saturated C1-4 hydrocarbyl optionally substituted by fluorine; R9is a monocyclic or bicyclic carbocyclic or heterocyclic group containing up to 3 ring heteroatoms selected from N, O and S; or R4, R4a and A together form a saturated monocyclic 4-7 membered heterocycle; or NR5R6, R4 and A form a saturated 4-7 membered monocyclic heterocycle; or R4,together with R7 or R8 and A and E form a 4-7 membered saturated monocyclic heterocycle; or NR5R6 and R7 or R8 together with A and E form a 4-7 membered saturated monocyclic heterocycle; and R10 is optionally substituted phenyl or benzyl.

Chemokine receptor antagonists and methods of use thereof

Disclosed are novel compounds and a method of treating a disease associated with aberrant leukocyte recruitment and/or activation. The method comprises administering to a subject in need an effective amount of a compound represented by: formula (1) or physiologically acceptable salt thereof.

NAPHTHYL ETHER COMPOUNDS AND THEIR USE

Compounds having the following structure wherein R1, R2, R3, R4, R5, R6, R7 m and n are as defined in the specification, in vivo-hydrolysable precursors thereof, pharmaceutically-acceptable salts thereof, the use in therapy and pharmaceutical compositions and methods of treatment using the same.

CHEMICAL COMPOUNDS

The present invention relates to cyclic amine derivatives of formula(I) (I)whereinR represents halogen, C1-4 alkyl, cyano, C1-4 alkoxy, trifluoromethyl or trifluoromethoxy;R1 represents hydrogen, halogen, C3-7cycloalkyl, hydroxy, nitro, cyano or C1-4 alkyl optionally substituted by halogen, cyano or C1-4 alkoxy;R2 represents hydrogen or C1-4 alkyl;R3 and R4 independently represent hydrogen, cyano, C1-4 alkyl or R3 together with R4 represents C3-7 cycloalkyl;R5 represents trifluoromethyl, S(O)t C 1-4 alkyl, C1-4 alkyl, C1-4 alkoxy, trifluoromethoxy, halogen or cyano;R6 represents hydrogen or (CH2)rR7;R7 represents hydrogen, C3-7 cycloalkyl, NH(C1-4alkylOC1-4alkoxy), NH(C1-4alkyl), N(C1-4alkyl)2, OC(O)NR9R8, NR8C(O)R9 or C(O)NR9R8;R9 and R8 independently represent hydrogen, C1-4 alkyl or C3-7 cycloalkyl; m represents zero or an integer from 1 to 4;n represents 1 or 2;p is zero or an integer from 1 to 3;q is an integer from 1 to 3;r is an integer from 1 to 4;t is 0, 1 or 2;provided that when m is 0, p is 2, q, r and n represent 1, R1, R2,R3, R4, R5 and R7 are hydrogen and R is chlorine, R5 is not iodine; and pharmaceutically acceptable salts and solvates thereof; process for their preparation and their use in the treatment of conditions mediated by tackykinins and/or by selective inhibition of serotonin reuptake transporter protein.