Diclofenac Acyl-β-D-glucuronide , CAS No.64118-81-6

Item Number

D336913

Grouped product items
SKU	Size	Availability	Price
D336913-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$285.90
D336913-2mg	2mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$532.90
D336913-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,330.90
D336913-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,280.90

a non-steroidal anti-inflammatory compound and COX inhibitor, toxic in vitro.

Basic Description

Synonyms	diclofenac acyl glucuronide \| diclofenac glucuronide \| 64118-81-6 \| CHEBI:59609 \| C8BEZ13XEN \| UNII-C8BEZ13XEN \| diclofenac beta-D-glucosiduronic acid \| Diclofenac-beta-D-glucuronide \| CHEMBL3527338 \| (2S,3S,4S,5R,6S)-6-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxy-3,4,5-tr
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads
Product Description	Diclofenac Acyl-β-D-glucuronide is a metabolite of Diclofenac and a nonsteroidal anti-inflammatory compound and cyclooxygenase (COX) inhibitor. Since Diclofenac Acyl-β-D-glucuronide is acutely toxic in vitro, it can be ascertained that Diclofenac Acyl-β-D-glucuronide may play a role in the hepatotoxicity of Diclofenac in vivo.

Associated Targets(Human)

CES2 Tchem Carboxylesterase 2 (583 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CES1 Tchem Acyl coenzyme A:cholesterol acyltransferase (1029 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

UGT1A3 Tbio UDP-glucuronosyltransferase 1-3 (217 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Names and Identifiers

IUPAC Name	(2S,3S,4S,5R,6S)-6-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
INCHI	InChI=1S/C20H19Cl2NO8/c21-10-5-3-6-11(22)14(10)23-12-7-2-1-4-9(12)8-13(24)30-20-17(27)15(25)16(26)18(31-20)19(28)29/h1-7,15-18,20,23,25-27H,8H2,(H,28,29)/t15-,16-,17+,18-,20+/m0/s1
InChi Key	JXIKYYSIYCILNG-HBWRTXEVSA-N
Canonical SMILES	C1=CC=C(C(=C1)CC(=O)OC2C(C(C(C(O2)C(=O)O)O)O)O)NC3=C(C=CC=C3Cl)Cl
Isomeric SMILES	C1=CC=C(C(=C1)CC(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)NC3=C(C=CC=C3Cl)Cl
PubChem CID	16084218
Molecular Weight	472.27

Solubility

Soluble in DMSO, and Dry Acetonitrile.

Refractive Index

n20D1.68 (Predicted)

Boil Point(°C)

642.33° C at 760 mmHg (Predicted)

Melt Point(°C)

101-103° C

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Basic Description