sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks Lpa2 antagonist 1

Lpa2 antagonist 1

CAS No.:
1017606-66-4
Catalog Number:
AG008THE
Molecular Formula:
C20H23Cl2N5O2S2
Molecular Weight:
500.4649
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$326
- +
5mg
≥98%
1 week
United States
$507
- +
10mg
≥98%
1 week
United States
$807
- +
50mg
99%
1 week
United States
$2557
- +
100mg
99%
1 week
United States
$3557
- +
Product Description
Catalog Number:
AG008THE
Chemical Name:
Lpa2 antagonist 1
CAS Number:
1017606-66-4
Molecular Formula:
C20H23Cl2N5O2S2
Molecular Weight:
500.4649
MDL Number:
MFCD28716107
IUPAC Name:
N-[(2S)-1-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]propan-2-yl]-7-methylthieno[3,2-d]pyrimidin-4-amine
InChI:
InChI=1S/C20H23Cl2N5O2S2/c1-13-11-30-19-18(13)23-12-24-20(19)25-14(2)10-26-5-7-27(8-6-26)31(28,29)15-3-4-16(21)17(22)9-15/h3-4,9,11-12,14H,5-8,10H2,1-2H3,(H,23,24,25)/t14-/m0/s1
InChI Key:
BPRNMVDTWIHULJ-AWEZNQCLSA-N
SMILES:
C[C@H](Nc1ncnc2c1scc2C)CN1CCN(CC1)S(=O)(=O)c1ccc(c(c1)Cl)Cl
Properties
Complexity:
704  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
499.067g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
500.457g/mol
Monoisotopic Mass:
499.067g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Literature
Title Journal
Discovery of highly selective and orally active lysophosphatidic acid receptor-1 antagonists with potent activity on human lung fibroblasts. Journal of medicinal chemistry 20120913
Selective non-lipid modulator of LPA5 activity in human platelets. Bioorganic & medicinal chemistry letters 20120815
Discovery of potent LPA2 (EDG4) antagonists as potential anticancer agents. Bioorganic & medicinal chemistry letters 20080201
Properties