DIRECT BLUE 1 ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C34H28N6O16S4
Molecular Weight	904.877
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(=CC=C1\N=N\C2=CC=C3C(=CC(=C(N)C3=C2O)S(O)(=O)=O)S(O)(=O)=O)C4=CC=C(\N=N\C5=C(O)C6=C(N)C(=CC(=C6C=C5)S(O)(=O)=O)S(O)(=O)=O)C(OC)=C4

InChI

InChIKey=OHMJKMNGYYWCHB-HVMBLDELSA-N

InChI=1S/C34H28N6O16S4/c1-55-23-11-15(3-7-19(23)37-39-21-9-5-17-25(57(43,44)45)13-27(59(49,50)51)31(35)29(17)33(21)41)16-4-8-20(24(12-16)56-2)38-40-22-10-6-18-26(58(46,47)48)14-28(60(52,53)54)32(36)30(18)34(22)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/b39-37+,40-38+

HIDE SMILES / InChI

Molecular Formula	C34H28N6O16S4
Molecular Weight	904.877
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Vesicular glutamate transporter 3 3 Target ID: CHEMBL3472 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12014964	Inhibitor 8504		190.0 nM [Ki]

PubMed

Title	Date	PubMed
Mechanisms underlying the nociception and paw oedema caused by injection of glutamate into the mouse paw.	2002-01-11	11750907
The vital dye Evans blue mimics limbic seizures induced by kainate or pilocarpine.	1997-04-11	9125413

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:43:57 GMT 2025` Edited by `admin` on `Mon Mar 31 18:43:57 GMT 2025`
Record UNII	R1UJK1UY9R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIRECT BLUE 1 ACID

Common Name

English

C.I. DIRECT BLUE 1, FREE ACID

Preferred Name

English

1,3-NAPHTHALENEDISULFONIC ACID, 6,6'-((3,3'-DIMETHOXY(1,1'-BIPHENYL)-4,4'-DIYL)BIS(2,1-DIAZENEDIYL))BIS(4-AMINO-5-HYDROXY-

Systematic Name

English

Code System Code Type Description

CAS

3841-14-3

Created by admin on Mon Mar 31 18:43:57 GMT 2025 , Edited by admin on Mon Mar 31 18:43:57 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

EPA CompTox

DTXSID3063207

Created by admin on Mon Mar 31 18:43:57 GMT 2025 , Edited by admin on Mon Mar 31 18:43:57 GMT 2025

PRIMARY

ECHA (EC/EINECS)

223-333-5

Created by admin on Mon Mar 31 18:43:57 GMT 2025 , Edited by admin on Mon Mar 31 18:43:57 GMT 2025

PRIMARY

FDA UNII

R1UJK1UY9R

Created by admin on Mon Mar 31 18:43:57 GMT 2025 , Edited by admin on Mon Mar 31 18:43:57 GMT 2025

PRIMARY