Home Other Heterocycles 1144068-46-1
1144068-46-1,MFCD22420813
Catalog No.:AA000B6R

1144068-46-1 | 1-[4-(1-{1,4-dioxaspiro[4.5]decan-8-yl}-4-{8-oxa-3-azabicyclo[3.2.1]octan-3-yl}pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]-3-methylurea

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$89.00   $62.00
- +
5mg
≥98%
in stock  
$138.00   $96.00
- +
10mg
≥98%
in stock  
$255.00   $178.00
- +
100mg
≥98%
in stock  
$2,429.00   $1,700.00
- +
500mg
98% by HPLC
in stock  
$8,111.00   $5,678.00
- +
1000mg
98% by HPLC
in stock  
$12,941.00   $9,059.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000B6R
Chemical Name:
1-[4-(1-{1,4-dioxaspiro[4.5]decan-8-yl}-4-{8-oxa-3-azabicyclo[3.2.1]octan-3-yl}pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]-3-methylurea
CAS Number:
1144068-46-1
Molecular Formula:
C27H33N7O4
Molecular Weight:
519.5954
MDL Number:
MFCD22420813
SMILES:
CNC(=O)Nc1ccc(cc1)c1nc(N2CC3CCC(C2)O3)c2c(n1)n(nc2)C1CCC2(CC1)OCCO2
Properties
Computed Properties
 
Complexity:
829  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
2  
XLogP3:
2.2  

Downstream Synthesis Route
32315-10-9    1144068-84-7   
CASUnavailable 
  1144068-46-1 

[1]Locationinpatent:schemeortableCurran,KevinJ.;Verheijen,JeroenC.;Kaplan,Joshua;Richard,DavidJ.;Toral-Barza,Lourdes;Hollander,Irwin;Lucas,Judy;Ayral-Kaloustian,Semiramis;Yu,Ker;Zask,Arie[BioorganicandMedicinalChemistryLetters,2010,vol.20,#4,p.1440-1444]

[1]Locationinpatent:schemeortableCurran,KevinJ.;Verheijen,JeroenC.;Kaplan,Joshua;Richard,DavidJ.;Toral-Barza,Lourdes;Hollander,Irwin;Lucas,Judy;Ayral-Kaloustian,Semiramis;Yu,Ker;Zask,Arie[BioorganicandMedicinalChemistryLetters,2010,vol.20,#4,p.1440-1444]

Literature

Title: Biochemical and pharmacological inhibition of mTOR by rapamycin and an ATP-competitive mTOR inhibitor.

Journal: Methods in molecular biology (Clifton, N.J.) 20120101

Title: Discovery of 9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phenyl)benzo[h][1,6]naphthyridin-2(1H)-one (Torin2) as a potent, selective, and orally available mammalian target of rapamycin (mTOR) inhibitor for treatment of cancer.

Journal: Journal of medicinal chemistry 20110310

Title: Pyrazolopyrimidines as highly potent and selective, ATP-competitive inhibitors of the mammalian target of rapamycin (mTOR): optimization of the 1-substituent.

Journal: Bioorganic & medicinal chemistry letters 20100215

Title: Beyond rapalog therapy: preclinical pharmacology and antitumor activity of WYE-125132, an ATP-competitive and specific inhibitor of mTORC1 and mTORC2.

Journal: Cancer research 20100115

Title: Yu K, et al. Beyond rapalog therapy: preclinical pharmacology and antitumor activity of WYE-125132, an ATP-competitive and specific inhibitor of mTORC1 and mTORC2.Cancer Res. 2010 Jan 15;70(2):621-631.

Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Country:
Additional Info:
SDS
Related Products of 1144068-46-1
Tags:1144068-46-1 Molecular Formula|1144068-46-1 MDL|1144068-46-1 SMILES|1144068-46-1 1-[4-(1-{1,4-dioxaspiro[4.5]decan-8-yl}-4-{8-oxa-3-azabicyclo[3.2.1]octan-3-yl}pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]-3-methylurea