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(S)-4-(Phenylmethyl)-2-piperazineethanol is a chiral chemical compound that belongs to the family of piperazine derivatives. It is characterized by its specific stereochemistry, denoted by the (S)prefix in its name, and features a phenylmethyl group, a piperazine ring, and an ethanol group, which provides its alcohol functionality. (S)-4-(Phenylmethyl)-2-piperazineethanol may hold potential in medicinal chemistry due to the pharmacological properties commonly associated with piperazine derivatives, and its alcohol group makes it a candidate for derivatization and modification to develop new drug candidates. (S)-4-(Phenylmethyl)-2-piperazineethanol's unique stereochemistry could also affect its interactions with biological targets, positioning it as a promising lead compound for drug development.

477220-33-0

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477220-33-0 Usage

Uses

Used in Medicinal Chemistry:
(S)-4-(Phenylmethyl)-2-piperazineethanol is used as a lead compound in drug development for its potential pharmacological properties. The presence of a phenylmethyl group and a piperazine ring, along with the ethanol functionality, allows for the compound to be modified and derivatized to create new drug candidates with specific therapeutic effects.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, (S)-4-(Phenylmethyl)-2-piperazineethanol is utilized as a building block for the synthesis of various pharmaceuticals. Its unique stereochemistry and functional groups make it a valuable component in the design and synthesis of novel drugs with improved efficacy and selectivity.
Used in Drug Design and Synthesis:
(S)-4-(Phenylmethyl)-2-piperazineethanol is employed as a key intermediate in the design and synthesis of pharmaceuticals. Its specific stereochemistry and functional groups enable the development of drugs with targeted biological activity, potentially leading to more effective treatments for various diseases and conditions.
Used in Biochemical Research:
In biochemical research, (S)-4-(Phenylmethyl)-2-piperazineethanol serves as a valuable tool for studying the interactions between small molecules and biological targets. Its unique structure allows researchers to investigate the role of stereochemistry in molecular recognition and binding, providing insights into the development of more selective and potent drugs.

Check Digit Verification of cas no

The CAS Registry Mumber 477220-33-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 4,7,7,2,2 and 0 respectively; the second part has 2 digits, 3 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 477220-33:
(8*4)+(7*7)+(6*7)+(5*2)+(4*2)+(3*0)+(2*3)+(1*3)=150
150 % 10 = 0
So 477220-33-0 is a valid CAS Registry Number.
InChI:InChI=1/C13H20N2O/c16-9-6-13-11-15(8-7-14-13)10-12-4-2-1-3-5-12/h1-5,13-14,16H,6-11H2/t13-/m0/s1

477220-33-0SDS

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 2-[(S)-4-Benzylpiperazin-2-yl]ethanol

1.2 Other means of identification

Product number -
Other names (S)-4-(Phenylmethyl)-2-piperazineethanol

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:477220-33-0 SDS

477220-33-0Downstream Products

477220-33-0Relevant academic research and scientific papers

KRAS G12C INHIBITORS

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Page/Page column 71-72, (2021/06/22)

The present invention provides compounds of the formula: where R1, R2, R3, R4, R5, A, B, and Y are as described herein, pharmaceutically acceptable salts thereof, and methods of using these compounds and salts for treating patients for cancer.

SUBSTITUTED PIPERAZINES OF AZEPINES, OXAZEPINES, AND THIAZEPINES

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Page/Page column 91-92, (2010/02/11)

Described herein are antipyschotic compounds of formula (I) wherein: is an optionally benzo-fused five or six member aromatic ring having zero to three hetero atoms independently selected from N, O, and S; R1 is hydrogen, (C1-6) fluoroalkyl, (C3-6) cycloalkyl, or (C1-4) alkyl, wherein the (C1-4) alkyl is unsubstituted or substituted with hydroxy, methoxy, ethoxy, OCH2CH2OH, -CN, imidazolidin-2-one, phenyl, or tetrazole wherein tetrazole is unsubstituted or substituted with (C1-4) alkyl; R2 is H, halogen, (C1-6) fluoroalkyl, (C3-6) cycloalkyl, OR6, SR6, NO2, CN, COR6, C(O)OR6, C(OH)R6, CONR7R8, phenyl or (C1-6) alkyl, wherein the (C1-6) alkyl is unsubstituted or substituted with a hydroxy; R3 is hydrogen, (C 1-6)fluoroalkyl , (C3-6) cycloalkyl, (C2-6) alkenyl, phenyl, monocyclic heteroaromatic, bicyclic heteroaromatic, or (C1-4)alkyl wherein (C1-4) alkyl is unsubstituted or substituted with a phenyl; R4 and R5 are independently selected from hydrogen, halogen, (C1-6) alkyl, (C1-6) fluoroalkyl, OR9, SR9, NO2, CN, or COR9; R6 is hydrogen, (C1-6) fluoroalkyl, or (C1-6) alkyl; R7 and R8 are independently hydrogen, or (C1-6) alkyl; R9 is hydrogen, (C1-6) fluoroalkyl, (C1-6) alkyl; Alk is (C1-4) alkylene unsubstituted or substituted with a hydroxy; Y is oxygen, sulfur, SO2, or a bond; X is CH2, C=O, S, O, or SO2; Z is hydrogen, halogen, (C1-6) alkyl, (C1-6)fluoroalkyl, -OH, (C1-6) alkoxy, (C1-6) fluoroalkoxy, (C1-6) alkylthio, (C1-6) acyl, (C1-4)alkylsulfonyl, -OCF3, -NO2, - CN, carboxamido which may be substituted on the nitrogen by one or two (C1-4) alkyl groups, and -NH2 in which one of the hydrogens may be replaced by a (C1-4) alkyl group and the other hydrogen may be replaced by either a (C1-4) alkyl group, a (C1-6) acyl group, or a (C1-4) alkylsulfonyl group; the phenyl of R1, R2 or R3 is independently unsubstituted or substituted with one to three substituents independently selected from Z; the monocyclic heteroaromatic of R3 is unsubstituted or substituted with one to three substituents independently selected from Z; the bicyclic heteroaromatic of R3 is unsubstituted or substituted with one to three substituents independently selected from Z; and salts, solvates, and crystal forms thereof. Also described are the use of the compounds of formula (I) as antagonists of the dopamine D2 receptor and as agents for the treatment of psychosis and bipolar disorders, and pharmaceutical formulations of the compounds of formula (I).

PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES

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Page 125-126, (2010/11/30)

Described herein are compounds of formula (I) wherein: is an optionally benzo-fused five or six member aromatic ring having zero to three hetero atoms independently selected from N, S, and O; Alk is (C1-4) alkylene or hydroxy substituted (C1-4) alkylene; X is oxygen or sulfur; R1 is hydrogen, (C1-6) fluoroalkyl, (C3-6) cycloalkyl, or (C1-4) alkyl, wherein the (C1-4) alkyl is unsubstituted or substituted with hydroxy, methoxy, ethoxy, OCH2CH2OH, or -CN; R2 is H, halogen, (C1-6) fluoroalkyl, (C1-6) cycloalkyl, OR4, SR4, N02, CN, COR4, C(O)OR4, CONR5R6 , NR5R6, S02NR5R6, NR5COR4, NR5SO2R4, optionally substituted aromatic, or (C1-6) alkyl, wherein (C1-6) alkyl is unsubstituted or substituted with a hydroxy group; R3 is hydrogen, (C1-6) fluoroalkyl, (C2-6) alkenyl, Ar, (C1-4)alkyl-Ar, or (C1-4) alkyl wherein (C1-4) alkyl is unsubsituted or substituted with a phenyl; R4 is hydrogen, (C1-6 alkyl, (C1-6) fluoroalkyl, or optionally substituted aromatic; R5 and R6 are independently hydrogen, (C1-6) alkyl, or optionally substituted aromatic, R7 is hydrogen, (C1-6) alkyl, (C1-6) fluoroalkyl, or optionally substituted aromatic; R8 and R9 are independently hydrogen, (C1-6) alkyl, or optionally substituted aromatic; Ar is optionally substituted phenyl, napthyl, monocyclic heteroaromatic or bicyclic heteroaromatic; Z1 and Z2 are independently selected from hydrogen, halogen, (C1-6) alkyl, (C1-6) fluoroalkyl, OR7, SR7, NO2, CN, COR7, CONR8R9, NR8R9, and optionally substituted aromatic; and all salts, solvates, optical and geometric isomers, and crystalline forms thereof. Also, described are the use of the compounds of formula (I) as antagonists of the dopamine D2 receptor and as agents for the treament of psychosis and bipolar disorders, and pharmaceutical formulations of the compounds of formula (I).

PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS

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Page/Page column 96-97, (2010/02/07)

Described herein are antipyschotic compounds of formula (I) wherein, A is an optionally benzo-fused five or six member aromatic ring having zero to three hetero atoms independently selected from N, O, and S; Alk is (C1-4) alkylene optionally substituted w

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