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1017606-66-4,MFCD28716107
Catalog No.:AA008TEM

1017606-66-4 | Lpa2 antagonist 1

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$338.00   $236.00
- +
5mg
≥98%
in stock  
$565.00   $395.00
- +
10mg
≥98%
in stock  
$938.00   $656.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA008TEM
Chemical Name:
Lpa2 antagonist 1
CAS Number:
1017606-66-4
Molecular Formula:
C20H23Cl2N5O2S2
Molecular Weight:
500.4649
MDL Number:
MFCD28716107
SMILES:
C[C@H](Nc1ncnc2c1scc2C)CN1CCN(CC1)S(=O)(=O)c1ccc(c(c1)Cl)Cl
Properties
Computed Properties
 
Complexity:
704  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.3  

Downstream Synthesis Route

[1]Beck,HilaryP.;Kohn,Todd;Rubenstein,Steven;Hedberg,Christine;Schwandner,Ralf;Hasslinger,Kerstin;Dai,Kang;Li,Cong;Liang,Lingming;Wesche,Holger;Frank,Brendon;An,Songhzu;Wickramasinghe,Dineli;Jaen,Juan;Medina,Julio;Hungate,Randall;Shen,Wang[BioorganicandMedicinalChemistryLetters,2008,vol.18,#3,p.1037-1041]

Literature

Title: Discovery of highly selective and orally active lysophosphatidic acid receptor-1 antagonists with potent activity on human lung fibroblasts.

Journal: Journal of medicinal chemistry 20120913

Title: Selective non-lipid modulator of LPA5 activity in human platelets.

Journal: Bioorganic & medicinal chemistry letters 20120815

Title: Discovery of potent LPA2 (EDG4) antagonists as potential anticancer agents.

Journal: Bioorganic & medicinal chemistry letters 20080201

Title: Beck HP, et al. Discovery of potent LPA2 (EDG4) antagonists as potential anticancer agents. Bioorg Med Chem Lett. 2008 Feb 1;18(3):1037-41.

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SDS
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Tags:1017606-66-4 Molecular Formula|1017606-66-4 MDL|1017606-66-4 SMILES|1017606-66-4 Lpa2 antagonist 1
Catalog No.: AA008TEM
1017606-66-4,MFCD28716107
1017606-66-4 | Lpa2 antagonist 1
Pack Size： 1mg
Purity： ≥98%
in stock
$338.00 $236.00
Pack Size： 5mg
Purity： ≥98%
in stock
$565.00 $395.00
Pack Size： 10mg
Purity： ≥98%
in stock
$938.00 $656.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA008TEM
Chemical Name: Lpa2 antagonist 1
CAS Number: 1017606-66-4
Molecular Formula: C20H23Cl2N5O2S2
Molecular Weight: 500.4649
MDL Number: MFCD28716107
SMILES: C[C@H](Nc1ncnc2c1scc2C)CN1CCN(CC1)S(=O)(=O)c1ccc(c(c1)Cl)Cl
Properties
Complexity: 704  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 1  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 31  
Hydrogen Bond Acceptor Count: 8  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 6  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.3  
Downstream Synthesis Route
1058026-36-0    98-31-7    1017606-66-4 

[1]Beck,HilaryP.;Kohn,Todd;Rubenstein,Steven;Hedberg,Christine;Schwandner,Ralf;Hasslinger,Kerstin;Dai,Kang;Li,Cong;Liang,Lingming;Wesche,Holger;Frank,Brendon;An,Songhzu;Wickramasinghe,Dineli;Jaen,Juan;Medina,Julio;Hungate,Randall;Shen,Wang[BioorganicandMedicinalChemistryLetters,2008,vol.18,#3,p.1037-1041]

Literature fold

Title: Discovery of highly selective and orally active lysophosphatidic acid receptor-1 antagonists with potent activity on human lung fibroblasts.

Journal: Journal of medicinal chemistry20120913

Title: Selective non-lipid modulator of LPA5 activity in human platelets.

Journal: Bioorganic & medicinal chemistry letters20120815

Title: Discovery of potent LPA2 (EDG4) antagonists as potential anticancer agents.

Journal: Bioorganic & medicinal chemistry letters20080201

Title: Beck HP, et al. Discovery of potent LPA2 (EDG4) antagonists as potential anticancer agents. Bioorg Med Chem Lett. 2008 Feb 1;18(3):1037-41.

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