SML3738
AS2717638
≥98% (HPLC)
Synonym(s):
6,7-Dimethoxy-2-(5-methyl-1,2-benzisoxazol-3-yl)-4-(1-piperidinylcarbonyl)-1(2H )-isoquinolinone, 6,7-Dimethoxy-2-(5-methyl-1,2-benzoxazol-3-yl)-4-(piperidin-1-ylcarbonyl)isoquinolin-1(2H)-one, AS 2717638, AS-2717638
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About This Item
Empirical Formula (Hill Notation):
C25H25N3O5
CAS Number:
Molecular Weight:
447.48
MDL number:
NACRES:
NA.21
Assay:
≥98% (HPLC)
Form:
powder
Quality Segment
assay
≥98% (HPLC)
form
powder
color
white to beige
solubility
DMSO: 2 mg/mL, clear (Warmed)
storage temp.
-10 to -25°C
SMILES string
O=C1C2=C(C(C(N3CCCCC3)=O)=CN1C4=NOC5=C4C=C(C)C=C5)C=C(OC)C(OC)=C2
InChI
1S/C25H25N3O5/c1-15-7-8-20-18(11-15)23(26-33-20)28-14-19(24(29)27-9-5-4-6-10-27)16-12-21(31-2)22(32-3)13-17(16)25(28)30/h7-8,11-14H,4-6,9-10H2,1-3H3
InChI key
QRMYHYZQUGJBBX-UHFFFAOYSA-N
Biochem/physiol Actions
Orally active, potent and selective lysophosphatidic acid (LPA) receptor LPAR5 (LPA5) antagonist with analgesic efficacy in vivo.
AS2717638 is an orally active, potent and selective lysophosphatidic acid (LPA) receptor LPAR5 (LPA5) antagonist (h/m/r LPA5 Ki = 9.1/7.3/16 nM) that blocks LPA-induced activation of human LPA5-expressing cells (cAMP accumulation IC50 = 38 nM), but not LPA1, LPA2 or LPA3 transfectants (Ca2+ mobilization IC50 >10 µM) and displays much reduced or little affinity toward 20 other receptors and channels. AS2717638 exhibits analgesic efficacy in mice (10 & 30 mg/kg p.o. against allodynia caused by 10 ng PGE2, 300 ng PGF2α, or 3 ng AMPA per mouse via i.t.) and rats (10 mg/kg p.o. against mechanical allodynia, thermal hyperalgesia and adjuvant-induced inflammatory pain) in vivo.
AS2717638 is an orally active, potent and selective lysophosphatidic acid (LPA) receptor LPAR5 (LPA5) antagonist (h/m/r LPA5 Ki = 9.1/7.3/16 nM) that blocks LPA-induced activation of human LPA5-expressing cells (cAMP accumulation IC50 = 38 nM), but not LPA1, LPA2 or LPA3 transfectants (Ca2+ mobilization IC50 >10 µM) and displays much reduced or little affinity toward 20 other receptors and channels. AS2717638 exhibits analgesic efficacy in mice (10 & 30 mg/kg p.o. against allodynia caused by 10 ng PGE2, 300 ng PGF2α, or 3 ng AMPA per mouse via i.t.) and rats (10 mg/kg p.o. against mechanical allodynia, thermal hyperalgesia and adjuvant-induced inflammatory pain) in vivo.
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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