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857531-00-1,MFCD18384971
Catalog No.:AA004OT6

857531-00-1 | Piperidine, 4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98+%
in stock  
$13.00   $9.00
- +
2mg
98+%
in stock  
$22.00   $16.00
- +
5mg
98+%
in stock  
$32.00   $23.00
- +
10mg
98+%
in stock  
$48.00   $34.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA004OT6
Chemical Name:
Piperidine, 4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]-
CAS Number:
857531-00-1
Molecular Formula:
C20H20ClN3
Molecular Weight:
337.8459
MDL Number:
MFCD18384971
SMILES:
Clc1ccc(cc1)C1(CCNCC1)c1ccc(cc1)c1c[nH]nc1
Properties
Properties
 
Form:
Solid  
Storage:
Keep in dry area;-20 ℃;  

Computed Properties
 
Complexity:
394  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.3  

Downstream Synthesis Route

[1]Saxty,Gordon;Woodhead,StevenJ.;Berdini,Valerio;Davies,ThomasG.;Verdonk,MarcelL.;Wyatt,PaulG.;Boyle,RobertG.;Barford,David;Downham,Robert;Garrett,MichelleD.;Carr,RobinA.[JournalofMedicinalChemistry,2007,vol.50,#10,p.2293-2296]

[2]CurrentPatentAssignee:UNIVERSITYOFLONDON;OTSUKAHOLDINGSCOLTD;CANCERRESEARCHUK-US2010/166699,2010,A1

CASUnavailable 
  857531-00-1 

[1]Saxty,Gordon;Woodhead,StevenJ.;Berdini,Valerio;Davies,ThomasG.;Verdonk,MarcelL.;Wyatt,PaulG.;Boyle,RobertG.;Barford,David;Downham,Robert;Garrett,MichelleD.;Carr,RobinA.[JournalofMedicinalChemistry,2007,vol.50,#10,p.2293-2296]

[1]Saxty,Gordon;Woodhead,StevenJ.;Berdini,Valerio;Davies,ThomasG.;Verdonk,MarcelL.;Wyatt,PaulG.;Boyle,RobertG.;Barford,David;Downham,Robert;Garrett,MichelleD.;Carr,RobinA.[JournalofMedicinalChemistry,2007,vol.50,#10,p.2293-2296]

Literature

Title: AT7867 is a potent and oral inhibitor of AKT and p70 S6 kinase that induces pharmacodynamic changes and inhibits human tumor xenograft growth.

Journal: Molecular cancer therapeutics 20100501

Title: Identification of inhibitors of protein kinase B using fragment-based lead discovery.

Journal: Journal of medicinal chemistry 20070517

Title: Grimshaw KM, et al. AT7867 is a potent and oral inhibitor of AKT and p70 S6 kinase that induces pharmacodynamic changes and inhibits human tumor xenograft growth. Mol Cancer Ther, 2010, 9(5), 1100-1110.

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SDS
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Tags:857531-00-1 Molecular Formula|857531-00-1 MDL|857531-00-1 SMILES|857531-00-1 Piperidine, 4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]-
Catalog No.: AA004OT6
857531-00-1,MFCD18384971
857531-00-1 | Piperidine, 4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]-
Pack Size： 1mg
Purity： 98+%
in stock
$13.00 $9.00
Pack Size： 2mg
Purity： 98+%
in stock
$22.00 $16.00
Pack Size： 5mg
Purity： 98+%
in stock
$32.00 $23.00
Pack Size： 10mg
Purity： 98+%
in stock
$48.00 $34.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA004OT6
Chemical Name: Piperidine, 4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]-
CAS Number: 857531-00-1
Molecular Formula: C20H20ClN3
Molecular Weight: 337.8459
MDL Number: MFCD18384971
SMILES: Clc1ccc(cc1)C1(CCNCC1)c1ccc(cc1)c1c[nH]nc1
Properties
Form: Solid  
Storage: Keep in dry area;-20 ℃;  
Complexity: 394  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 24  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.3  
Downstream Synthesis Route
857531-01-2    269410-08-4    857531-00-1 

[1]Saxty,Gordon;Woodhead,StevenJ.;Berdini,Valerio;Davies,ThomasG.;Verdonk,MarcelL.;Wyatt,PaulG.;Boyle,RobertG.;Barford,David;Downham,Robert;Garrett,MichelleD.;Carr,RobinA.[JournalofMedicinalChemistry,2007,vol.50,#10,p.2293-2296]

[2]CurrentPatentAssignee:UNIVERSITYOFLONDON;OTSUKAHOLDINGSCOLTD;CANCERRESEARCHUK-US2010/166699,2010,A1

CASUnavailable 
  857531-00-1 

[1]Saxty,Gordon;Woodhead,StevenJ.;Berdini,Valerio;Davies,ThomasG.;Verdonk,MarcelL.;Wyatt,PaulG.;Boyle,RobertG.;Barford,David;Downham,Robert;Garrett,MichelleD.;Carr,RobinA.[JournalofMedicinalChemistry,2007,vol.50,#10,p.2293-2296]

57988-58-6    857531-00-1 

[1]Saxty,Gordon;Woodhead,StevenJ.;Berdini,Valerio;Davies,ThomasG.;Verdonk,MarcelL.;Wyatt,PaulG.;Boyle,RobertG.;Barford,David;Downham,Robert;Garrett,MichelleD.;Carr,RobinA.[JournalofMedicinalChemistry,2007,vol.50,#10,p.2293-2296]

Literature fold

Title: AT7867 is a potent and oral inhibitor of AKT and p70 S6 kinase that induces pharmacodynamic changes and inhibits human tumor xenograft growth.

Journal: Molecular cancer therapeutics20100501

Title: Identification of inhibitors of protein kinase B using fragment-based lead discovery.

Journal: Journal of medicinal chemistry20070517

Title: Grimshaw KM, et al. AT7867 is a potent and oral inhibitor of AKT and p70 S6 kinase that induces pharmacodynamic changes and inhibits human tumor xenograft growth. Mol Cancer Ther, 2010, 9(5), 1100-1110.

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Historical Records
19754-75-7
19754-75-7
886911-89-3
886911-89-3
1337880-99-5
1337880-99-5
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