QC-12

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H13NO10
Molecular Weight	403.2965
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CNC(=O)OC1=C(O)C=CC(=C1)C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2

InChI

InChIKey=PJHBXFNXVPBOAI-UHFFFAOYSA-N

InChI=1S/C18H13NO10/c20-8-4-10(22)14-12(5-8)28-17(16(26)15(14)25)7-1-2-9(21)11(3-7)29-18(27)19-6-13(23)24/h1-5,20-22,26H,6H2,(H,19,27)(H,23,24)

HIDE SMILES / InChI

Molecular Formula	C18H13NO10
Molecular Weight	403.2965
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:47:16 UTC 2023` Edited by `admin` on `Sat Dec 16 11:47:16 UTC 2023`
Record UNII	9UA2FPZ3ZK
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

QC-12

Common Name

English

2-((2-HYDROXY-5-(3,5,7-TRIHYDROXY-4-OXO-CHROMEN-2-YL)PHENOXY)CARBONYLAMINO)ACETIC ACID

Systematic Name

English

GLYCINE, N-((2-HYDROXY-5-(3,5,7-TRIHYDROXY-4-OXO-4H-1-BENZOPYRAN-2-YL)PHENOXY)CARBONYL)-

Systematic Name

English

Code System Code Type Description

CAS

201280-73-1

Created by admin on Sat Dec 16 11:47:16 UTC 2023 , Edited by admin on Sat Dec 16 11:47:16 UTC 2023

PRIMARY

FDA UNII

9UA2FPZ3ZK

Created by admin on Sat Dec 16 11:47:16 UTC 2023 , Edited by admin on Sat Dec 16 11:47:16 UTC 2023

PRIMARY

PUBCHEM

9844095

Created by admin on Sat Dec 16 11:47:16 UTC 2023 , Edited by admin on Sat Dec 16 11:47:16 UTC 2023

PRIMARY

ChEMBL

CHEMBL3545140

Created by admin on Sat Dec 16 11:47:16 UTC 2023 , Edited by admin on Sat Dec 16 11:47:16 UTC 2023

PRIMARY

Related Record Type Details


					9IKM0I5T1E

QUERCETIN

METABOLITE ACTIVE -> PRODRUG

Comments:

To overcome these limitations, QC12, a water-soluble glycine carbamate prodrug of quercetin, was synthesized and evaluated in a clinical study to investigate its pharmacokinetics following oral administrations to cancer patients.

Related Record Type Details


					9UA2FPZ3ZK

QC-12

ACTIVE MOIETY

Comments:

The glycine carbamate moiety of QC12 was designed to be lost in the blood stream by hydrolysis to give the active ingredient, quercetin. In vitro hydrolysis of QC12 to quercetin at 37 ?C in water showed the prodrug to be stable with a half-life of 16.9 h while the half-life in whole blood was only 0.39 h.