SML3358
AS602801
≥98% (HPLC)
Synonym(s):
1,3-Benzothiazol-2-yl(2-{[4-(morpholin-4-ylmethyl)benzyl]oxy}pyrimidin-4-yl)-acetonitrile, 2-(Benzo[d]thiazol-2-yl)-2-(2-(4-(morpholinomethyl)benzyloxy)pyrimidin-4-yl)acetonitrile, AS 602801, AS-602801, Bentamapimod, PGL 5001, PGL-5001, PGL5001
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About This Item
Empirical Formula (Hill Notation):
C25H23N5O2S
CAS Number:
Molecular Weight:
457.55
UNSPSC Code:
12352200
NACRES:
NA.77
MDL number:
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.
2-8°C
SMILES string
[s]1c2c(nc1C(c3nc(ncc3)OCc4ccc(cc4)CN5CCOCC5)C#N)cccc2
InChI
1S/C25H23N5O2S/c26-15-20(24-28-22-3-1-2-4-23(22)33-24)21-9-10-27-25(29-21)32-17-19-7-5-18(6-8-19)16-30-11-13-31-14-12-30/h1-10,20H,11-14,16-17H2
InChI key
XCPPIJCBCWUBNT-UHFFFAOYSA-N
Biochem/physiol Actions
AS602801 (Bentamapimod, PGL5001) is an orally active, ATP-competitive, potent and selective c-Jun N-terminal kinase (JNK) inhibitor (JNK1/2/3 IC50 = 80/90/230 nM). AS602801 decreases MMP-3 upregulation in endometrium cultures from patients with endometriosis (15 μM alone or 5 μM in combination with 100-250 μM medroxyprogesterone acetate) and exhibits therapeutic efficacy in rodent endometriosis models in vivo (10-30 mg/kg via daily p.o. in mice and 10-60 mg/kg via twice daily p.o. in rats).
Orally active, ATP-competitive, potent and selective c-Jun N-terminal kinase (JNK) inhibitor in vitro and in vivo.
Storage Class
11 - Combustible Solids
flash_point_f
Not applicable
flash_point_c
Not applicable
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