Home Amines 1001264-89-6
1001264-89-6,MFCD22124514
Catalog No.:AA0000XK
1001264-89-6 | 1-Propanone, 2-(4-chlorophenyl)-1-[4-[(5R,7R)-6,7-dihydro-7-hydroxy-5-methyl-5H-cyclopentapyrimidin-4-yl]-1-piperazinyl]-3-[(1-methylethyl)amino]-, (2S)-
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1mg
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$107.00
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5mg
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$304.00
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10mg
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$500.00
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25mg
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$1,035.00
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  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0000XK
Chemical Name:
1-Propanone, 2-(4-chlorophenyl)-1-[4-[(5R,7R)-6,7-dihydro-7-hydroxy-5-methyl-5H-cyclopentapyrimidin-4-yl]-1-piperazinyl]-3-[(1-methylethyl)amino]-, (2S)-
CAS Number:
1001264-89-6
Molecular Formula:
C24H32ClN5O2
Molecular Weight:
457.9962
MDL Number:
MFCD22124514
IUPAC Name:
(2S)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
InChI:
InChI=1S/C24H32ClN5O2/c1-15(2)26-13-19(17-4-6-18(25)7-5-17)24(32)30-10-8-29(9-11-30)23-21-16(3)12-20(31)22(21)27-14-28-23/h4-7,14-16,19-20,26,31H,8-13H2,1-3H3/t16-,19-,20-/m1/s1
InChI Key:
GRZXWCHAXNAUHY-NSISKUIASA-N
SMILES:
CC(NC[C@@H](C(=O)N1CCN(CC1)c1ncnc2c1[C@H](C)C[C@H]2O)c1ccc(cc1)Cl)C
UNII:
524Y3IB4HQ
Properties
Computed Properties
 
Complexity:
622  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
457.224g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
458.003g/mol
Monoisotopic Mass:
457.224g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
2-(4-chlorophenyl)-1-(4-(7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidin-4-yl)piperazin-1-yl)-3-(isopropylamino)propan-1-one 
GDC-0068 
GDC-0068 (RG7440) 
524Y3IB4HQ 
(S)-2-(4-chlorophenyl)-1-(4-((5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl)-3-(isopropylamino)propan-1-one 
CHEMBL2177390 
(2S)-2-(4-Chlorophenyl)-1-[4-[(5R,7R)-6,7-dihydro-7-hydroxy-5-methyl-5H-cyclopentapyrimidin-4-yl]-1-piperazinyl]-3-[(1-methylethyl)amino]-1-propanone 
RG-7440 
C24H32ClN5O2 
(2s)-2-(4-Chlorophenyl)-1-{4-[(5r,7r)-7-Hydroxy-5-Methyl-6,7-Dihydro-5h-Cyclopenta[d]pyrimidin-4-Yl]piperazin-1-Yl}-3-(Propan-2-Ylamino)propan-1-One 
1-Propanone, 2-(4-chlorophenyl)-1-(4-((5R,7R)-6,7-dihydro-7-hydroxy-5-methyl-5H-cyclopentapyrimidin-4-yl)-1-piperazinyl)-3-((1-methylethyl)amino)-, (2S)- 
Ipatasertib [USAN:INN] 
GDC0068 
1-Propanone, 2-(4-chlorophenyl)-1-[4-[(5R,7R)-6,7-dihydro-7-hydroxy-5-methyl-5H-cyclopentapyrimidin-4-yl]-1-piperazinyl]-3-[(1-methylethyl)amino]-, (2S)- 
AK174371 
RG 7440 
Ipatasertib (USAN/INN) 
Ipatasertib; GDC-0068 
SCHEMBL191659 
GTPL7887 
CHEBI:95089 
GRZXWCHAXNAUHY-NSISKUIASA-N 
AOB87386 
Ipatasertib 
EX-A2077 
BDBM50398379 
MFCD22124514 
s2808 
ZINC68250459 
AKOS025396463 
BCP9000712 
CS-0975 
DB11743 
SB16560 
GDC-0068 
NCGC00346714-01 
(2S)-2-(4-Chlorophenyl)-1-(4-((5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidin-4-yl)piperazin-1-yl(-3-((propan-2-yl)amino)propan-1-one 
AC-28420 
AS-17027 
BC295592 
HY-15186 
QC-10488 
BCP0726000195 
AB0033076 
FT-0773211 
1001264-89-6 
X6541 
J3.478.537F 
D10641 
W-5890 
(2S)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one 
0RF 
AKT inhibitors 
Ipatasertib [INN] 
D0I4TH 
cc-616 
Ipatasertib (GDC-0068) 
A3006 
A11246 
1417449-25-2 
GDC 0068 
UNII-524Y3IB4HQ 
RG7440 
Literature

Title: Discovery and preclinical pharmacology of a selective ATP-competitive Akt inhibitor (GDC-0068) for the treatment of human tumors.

Journal: Journal of medicinal chemistry 20120927

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