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Chicago Sky Blue 6B

CAT: 0957-S5609-1gSize: 1 gDry Ice: NoHazardous: No
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CAT#:0957-S5609-1gSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2610-05-1
Synonyms
Direct Blue 1, Pontamine sky blue
Target
MIF
Applications
Immunology & Inflammation
Smiles
COC1=C (C=CC (=C1) C2=CC (=C (C=C2) N=NC3=C (C4=C (C=C3) C (=CC (=C4N) S (=O) (=O) [O-]) S (=O) (=O) [O-]) O) OC) N=NC5=C (C6=C (C=C5) C (=CC (=C6N) S (=O) (=O) [O-]) S (=O) (=O) [O-]) O.[Na+].[Na+].[Na+].[Na+]
Molecular Formula
C34H24N6Na4O16S4
Additionnal Information
Chicago Sky Blue 6B (Direct Blue 1, Pontamine sky blue) is a counterstain for background autofluorescence in fluorescence and immunofluorescence histochemistry. It is an inhibitor of macrophage migration inhibitory factor (MIF) with an IC50 of 0.81 μM.
Storage Conditions
3 years -20°C powder

Chemical Information

Chicago Sky Blue 6B

See also: Direct Blue 1 (annotation moved to).

CAS Number2610-05-1
PubChem CID17460
IUPAC Nametetrasodium;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5,7-disulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonate
Molecular FormulaC34H24N6Na4O16S4
Molecular Weight992.8
Topological Polar Surface Area423
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count22
Rotatable Bond Count7
Heavy Atom Count64
Formal Charge0
Complexity1830
SMILES
COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C3)C(=CC(=C4N)S(=O)(=O)[O-])S(=O)(=O)[O-])O)OC)N=NC5=C(C6=C(C=C5)C(=CC(=C6N)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C34H28N6O16S4.4Na/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);;;;/q;4*+1/p-4
InChIKey
BPHHNXJPFPEJOF-UHFFFAOYSA-J
Chemical Structure
2D Structure
2D structure of Chicago Sky Blue 6B
CAS: 2610-05-1
CID: 17460
Formula: C34H24N6Na4O16S4
MW: 992.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight992.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count22
Rotatable Bond Count7
Exact Mass991.9722405
Monoisotopic Mass991.9722405
Topological Polar Surface Area423 Ų
Heavy Atom Count64
Formal Charge0
Complexity1830
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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Alternative Products

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