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5H-Pyrimido[5,4-b]indol-8-amine, 4-[4-[2-(3,4-difluorophenyl)ethyl]-1-piperazinyl]- is a complex organic compound with a molecular formula of C21H22F2N4. It is a derivative of pyrimidoindole, a heterocyclic compound with a pyrimidine ring fused to an indole ring. The molecule features a piperazine group attached to the 4-position of the pyrimidoindole core, which is further substituted with a 3,4-difluorophenylethyl group. 5H-Pyrimido[5,4-b]indol-8-amine, 4-[4-[2-(3,4-difluorophenyl)ethyl]-1-piperazinyl]- is of interest in medicinal chemistry due to its potential as a pharmacophore in the development of new drugs, particularly in the area of central nervous system disorders. Its structure allows for the exploration of various biological activities through modifications of the substituents on the piperazine ring and the phenyl group.

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  • 676601-64-2 Structure
  • Basic information

    1. Product Name: 5H-Pyrimido[5,4-b]indol-8-amine, 4-[4-[2-(3,4-difluorophenyl)ethyl]-1-piperazinyl]-
    2. Synonyms:
    3. CAS NO:676601-64-2
    4. Molecular Formula: C22H22F2N6
    5. Molecular Weight: 408.454
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 676601-64-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: N/A
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 5H-Pyrimido[5,4-b]indol-8-amine, 4-[4-[2-(3,4-difluorophenyl)ethyl]-1-piperazinyl]-(CAS DataBase Reference)
    10. NIST Chemistry Reference: 5H-Pyrimido[5,4-b]indol-8-amine, 4-[4-[2-(3,4-difluorophenyl)ethyl]-1-piperazinyl]-(676601-64-2)
    11. EPA Substance Registry System: 5H-Pyrimido[5,4-b]indol-8-amine, 4-[4-[2-(3,4-difluorophenyl)ethyl]-1-piperazinyl]-(676601-64-2)
  • 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: 676601-64-2(Hazardous Substances Data)

676601-64-2 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 676601-64-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 6,7,6,6,0 and 1 respectively; the second part has 2 digits, 6 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 676601-64:
(8*6)+(7*7)+(6*6)+(5*6)+(4*0)+(3*1)+(2*6)+(1*4)=182
182 % 10 = 2
So 676601-64-2 is a valid CAS Registry Number.

676601-64-2Downstream Products

676601-64-2Relevant articles and documents

Design and Synthesis of New Templates Derived from Pyrrolopyrimidine as Selective Multidrug-Resistance-Associated Protein Inhibitors in Multidrug Resistance

Wang, Shouming,Wan, Nan Chi,Harrison, John,Miller, Warren,Chuckowree, Irina,Sohal, Sukhjit,Hancox, Timothy C.,Baker, Stewart,Folkes, Adrian,Wilson, Francis,Thompson, Deanne,Cocks, Simon,Farmer, Hayley,Boyce, Anthony,Freathy, Caroline,Broadbridge, Jan,Scott, John,Depledge, Paul,Faint, Richard,Mistry, Prakash,Charlton, Peter

, p. 1339 - 1350 (2007/10/03)

In our continued effort to identify selective MRP1 modulators, we have developed two novel templates, 3 and 4, through rational drug design by identifying the key pharmacophore interaction at the 7-position of the pyrrolopyrimidine template 1. Further syn

PYRROLOPYRIMIDINE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE (MDR)

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Page 54-55, (2010/02/10)

A compound which is a pyrrolopyrimidine of formula (I) wherein R1 is selected from H, Cl-C6 alkyl which is unsubstituted or substituted, (CH2)nAr1, (CH2)pNR4R5, halogen and (CH2)pX; R2 is CH2)pArl; R3 is selected from H, Cl -C6 alkyl which is unsubstituted or substituted, (CH2)pZ and (CH2)pArl; P is an unsaturated 5, 6, or 7 membered carbocyclic or heterocyclic ring which is unsubstituted or substituted; R4 and R5 which are the same or different are selected from H, Cl -C6 alkyl which is unsubstituted or substituted, (CH2)nC3-C10 cycloalkyl, (CH2)nAr1 , and (CH2)nOR6, or R4 and R5 together with the nitrogen atom to which they are attached, form a saturated five or six membered nitrogen containing heterocyclic ring which may contain one extra heteroatom selected from 0, N and S and which is unsubstituted or substituted; R6 is selected from H, Cl -C6 alkyl which is unsubstituted or substituted, C3-C10 cycloalkyl, (CH2)nOC1-C6alkyl which is unsubstituted or substituted, (CH2)nO(CH2)nAr1 , (CH2)nCO2C1-C6,alkyl which is unsubstituted or substituted and (CH2)nAr1; X is selected from CN, azide, (CH2)nNHSO2R6 and (CH2)nNHCOR6; Z is selected from CN, CO2R6 and CONR4R5; Ar1 is the same or different when more than one is present within a given substituent group and is an unsaturated C6-C10 membered carbocylic group or an unsaturated 5-11 membered heterocycle, either of which is unsubstituted or substituted; p is an integer of 1 to 6; n is the same or different when more than one is present within a given substituent group and is 0 or an integer of 1 to 6; with the proviso that the pyrrolepyrimidine compound of formula (I) is other than 1-(4-benzyl-piperazin-1-yl)-9H-2,4,9-triaza-fluorene; and the pharmaceutically acceptable salts thereof, have activity as inhibitors of MRP (multidrug resistant protein) and may thus be used to modulate multidrug resistance, for instance in potentiating the cytotoxicity of a chemotherapeutic agent.

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