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932737-65-0,MFCD31382177
Catalog No.:AA00H1H0

932737-65-0 | FITM

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$46.00   $32.00
- +
5mg
≥98%
in stock  
$166.00   $116.00
- +
10mg
≥98%
in stock  
$242.00   $169.00
- +
25mg
≥98%(HPLC)
in stock  
$499.00   $349.00
- +
50mg
≥98%(HPLC)
in stock  
$772.00   $540.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00H1H0
Chemical Name:
FITM
CAS Number:
932737-65-0
Molecular Formula:
C18H18FN5OS
Molecular Weight:
371.4318
MDL Number:
MFCD31382177
SMILES:
CC(Nc1ncnc(c1)c1csc(n1)N(C(=O)c1ccc(cc1)F)C)C
Properties
Computed Properties
 
Complexity:
475  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.5  

Literature

Title: Synthesis and evaluation of novel radioligands for positron emission tomography imaging of metabotropic glutamate receptor subtype 1 (mGluR1) in rodent brain.

Journal: Journal of medicinal chemistry 20120308

Title: Discovery and in vitro and in vivo profiles of 4-fluoro-N-[4-[6-(isopropylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-N-methylbenzamide as novel class of an orally active metabotropic glutamate receptor 1 (mGluR1) antagonist.

Journal: Bioorganic & medicinal chemistry letters 20090915

Title: Wu H, et al. Structure of a class C GPCR metabotropic glutamate receptor 1 bound to an allosteric modulator. Science. 2014 Apr 4;344(6179):58-64.

Title: Bai Q, et al. Investigation of allosteric modulation mechanism of metabotropic glutamate receptor 1 by molecular dynamics simulations, free energy and weak interaction analysis. Sci Rep. 2016 Feb 18;6:21763.

Title: Yamasaki T, et al. In vivo measurement of the affinity and density of metabotropic glutamate receptor subtype 1 in rat brain using 18F-FITM in small-animal PET. J Nucl Med. 2012 Oct;53(10):1601-7.

Title: Xie L, et al. Molecular imaging of ectopic metabotropic glutamate 1 receptor in melanoma with a positron emission tomography radioprobe (18) F-FITM. Int J Cancer. 2014 Oct 15;135(8):1852-9.

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SDS
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Tags:932737-65-0 Molecular Formula|932737-65-0 MDL|932737-65-0 SMILES|932737-65-0 FITM
Catalog No.: AA00H1H0
932737-65-0,MFCD31382177
932737-65-0 | FITM
Pack Size： 1mg
Purity： ≥98%
in stock
$46.00 $32.00
Pack Size： 5mg
Purity： ≥98%
in stock
$166.00 $116.00
Pack Size： 10mg
Purity： ≥98%
in stock
$242.00 $169.00
Pack Size： 25mg
Purity： ≥98%(HPLC)
in stock
$499.00 $349.00
Pack Size： 50mg
Purity： ≥98%(HPLC)
in stock
$772.00 $540.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00H1H0
Chemical Name: FITM
CAS Number: 932737-65-0
Molecular Formula: C18H18FN5OS
Molecular Weight: 371.4318
MDL Number: MFCD31382177
SMILES: CC(Nc1ncnc(c1)c1csc(n1)N(C(=O)c1ccc(cc1)F)C)C
Properties
Complexity: 475  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 26  
Hydrogen Bond Acceptor Count: 7  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.5  
Literature fold

Title: Synthesis and evaluation of novel radioligands for positron emission tomography imaging of metabotropic glutamate receptor subtype 1 (mGluR1) in rodent brain.

Journal: Journal of medicinal chemistry20120308

Title: Discovery and in vitro and in vivo profiles of 4-fluoro-N-[4-[6-(isopropylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-N-methylbenzamide as novel class of an orally active metabotropic glutamate receptor 1 (mGluR1) antagonist.

Journal: Bioorganic & medicinal chemistry letters20090915

Title: Wu H, et al. Structure of a class C GPCR metabotropic glutamate receptor 1 bound to an allosteric modulator. Science. 2014 Apr 4;344(6179):58-64.

Title: Bai Q, et al. Investigation of allosteric modulation mechanism of metabotropic glutamate receptor 1 by molecular dynamics simulations, free energy and weak interaction analysis. Sci Rep. 2016 Feb 18;6:21763.

Title: Yamasaki T, et al. In vivo measurement of the affinity and density of metabotropic glutamate receptor subtype 1 in rat brain using 18F-FITM in small-animal PET. J Nucl Med. 2012 Oct;53(10):1601-7.

Title: Xie L, et al. Molecular imaging of ectopic metabotropic glutamate 1 receptor in melanoma with a positron emission tomography radioprobe (18) F-FITM. Int J Cancer. 2014 Oct 15;135(8):1852-9.

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