J Urea Acid

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H16N2O9S2
Molecular Weight	504.49
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC1=CC(=CC2=C1C=CC(NC(=O)NC3=CC4=C(C=C3)C(O)=CC(=C4)S(O)(=O)=O)=C2)S(O)(=O)=O

InChI

InChIKey=PCGISRHGYLRXSR-UHFFFAOYSA-N

InChI=1S/C21H16N2O9S2/c24-19-9-15(33(27,28)29)7-11-5-13(1-3-17(11)19)22-21(26)23-14-2-4-18-12(6-14)8-16(10-20(18)25)34(30,31)32/h1-10,24-25H,(H2,22,23,26)(H,27,28,29)(H,30,31,32)

HIDE SMILES / InChI

Molecular Formula	C21H16N2O9S2
Molecular Weight	504.49
Charge	0
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Protein-arginine N-methyltransferase 1 8 Target ID: CHEMBL5524 Sources: https://www.ncbi.nlm.nih.gov/pubmed/15056663\|https://www.ncbi.nlm.nih.gov/pubmed/17432842	Inhibitor 8504		1.2 µM [IC50]

Substance Class	Chemical Created by `admin` on `Tue Apr 01 20:21:43 GMT 2025` Edited by `admin` on `Tue Apr 01 20:21:43 GMT 2025`
Record UNII	2QJN9485J7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-1699

Preferred Name

English

J Urea Acid

Common Name

English

4,4'-Dihydroxy-7,7'-ureylenedi(naphthalene-2-sulphonic acid)

Systematic Name

English

Urea J Acid

Common Name

English

2-Naphthalenesulfonic acid, 7,7'-ureylenebis(4-hydroxy-

Systematic Name

English

2-Naphthalenesulfonic acid, 7,7'-(carbonyldiimino)bis(4-hydroxy-

Systematic Name

English

7,7'-(Carbonyldiimino)bis(4-hydroxy-2-naphthalenesulfonic acid)

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID7059642