ChemicalBook CAS DataBase List 947669-86-5

947669-86-5

Name	WWL113
CAS	947669-86-5
Molecular Formula	C29H26N2O4
MDL Number	MFCD28160857
Molecular Weight	466.53
MOL File	947669-86-5.mol

Chemical Properties

Boiling point	630.9±55.0 °C(Predicted)
density	1?+-.0.06 g/cm3(Predicted)
storage temp.	Store at -20°C
solubility	DMF: 25 mg/ml; DMF:PBS(pH7.2) (1:2): 0.3 mg/ml; DMSO: 15 mg/ml; Ethanol: 0.1 mg/ml
form	A crystalline solid
pka	5.18±0.26(Predicted)
color	White to off-white
InChI	1S/C29H26N2O4/c1-3-34-28(32)25-9-7-22(8-10-25)23-11-13-27(14-12-23)35-29(33)31(2)20-21-5-4-6-26(19-21)24-15-17-30-18-16-24/h4-19H,3,20H2,1-2H3
InChIKey	AKIIPHDGVCFVCC-UHFFFAOYSA-N
SMILES	CCOC(C(C=C1)=CC=C1C(C=C2)=CC=C2OC(N(C)CC3=CC(C4=CC=NC=C4)=CC=C3)=O)=O

Safety Data

WGK Germany	WGK 3
Storage Class	11 - Combustible Solids

Hazard Information

Uses

WWL113 is a selective inhibitor of carboxylesterase 3 (Ces3) without significantly affecting several related enzymes. It significantly reduces basal lipolysis in adipocytes.

Definition

ChEBI: WWL113 is a member of biphenyls.

Biological Activity

WWL113 is an inhibitor of mouse Carboxylesterase 3 (Ces3) and human CES1 (orthologue of mCes3)serine hydrolases involved in lipolysis in addition to their activities as liver detoxification enzymes. In a recent studyhCES1 activity was found to be increased two-fold in obese individuals and patients with type 2 diabetes compared to lean subjectsand is thought to generate surplus fatty acids th at can deposit ectopically in tissues. WWL113 treatment resulted in major improvement of multiple features of metabolic syndrome and ameliorated obesity-diabetes in mice with lowered levels of nonesterified free fatty acids (NEFAs)triglycerides (TGs)total cholesterol and fasted glucose as well as enhanced glucose tolerance after three weeks of treatment. WWL113 inhibits Ces3 with an IC50 of 120 nM and also the closely related Ces1f with an IC50 of 100 nM. WWL113 inhibits mouse recombinant Ces1Ces1cand Abhd6 at 10 μM.

in vivo

WWL113 (30 mg/kg, orally once a day) results in major improvement of multiple features of metabolic syndrome and ameliorated obesity-diabetes in mice with lowered levels of nonesterified free fatty acids (NEFAs), triglycerides (TGs), total cholesterol and fasted glucose as well as enhanced glucose tolerance^[1].
WWL113 ameliorates obesity-diabetes in mice^[1].

Animal Model:	Eight-week-old db/db mice (n = 10 per group)^[1].
Dosage:	30 mg/kg.
Administration:	Orally once a day for 3 weeks.
Result:	Corrected multiple features of metabolic syndrome in db/db mice.

storage

Store at -20°C

Supplier

Pharmacodia (Beijing) Co.,Ltd

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ChemeGen(Shanghai) Biotechnology Co.,Ltd.

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MedBioPharmaceutical Technology Inc

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Beijing Jin Ming Biotechnology Co., Ltd.

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TargetMol Chemicals Inc.

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Websitehttps://www.targetmol.cn/

Nantong QuanYi Biotechnology Co., Ltd

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