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=C(C=CC(=C1)C2=CC(OC)=C(C=C2)\N=N\C3=C(O)C4=C(N)C(=CC(=C4C=C3)S(O)(=O)=O)S(O)(=O)=O)\N=N\C5=C(O)C6=C(N)C(=CC(=C6C=C5)S(O)(=O)=O)S(O)(=O)=O

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 8297		190.0 nM [Ki]

PubMed

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

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:18:05 GMT 2023` Edited by `admin` on `Fri Dec 15 17:18:05 GMT 2023`
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

Common 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 Fri Dec 15 17:18:05 GMT 2023 , Edited by admin on Fri Dec 15 17:18:05 GMT 2023

NON-SPECIFIC STEREOCHEMISTRY

EPA CompTox

DTXSID3063207

Created by admin on Fri Dec 15 17:18:05 GMT 2023 , Edited by admin on Fri Dec 15 17:18:05 GMT 2023

PRIMARY

ECHA (EC/EINECS)

223-333-5

Created by admin on Fri Dec 15 17:18:05 GMT 2023 , Edited by admin on Fri Dec 15 17:18:05 GMT 2023

PRIMARY

FDA UNII

R1UJK1UY9R

Created by admin on Fri Dec 15 17:18:05 GMT 2023 , Edited by admin on Fri Dec 15 17:18:05 GMT 2023

PRIMARY