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PSB-10211

CAT: 0931-T68908-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T68908-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
66295-57-6
Target
Others
Related Pathways
Others
Bioactivity
PSB-10211 is a potent competitive antagonist and positive modulator of the P2X2 receptor.
Smiles
[Na+].Nc1c(cc(Nc2cccc(Nc3nc(Cl)nc(Cl)n3)c2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Molecular Formula
C23H13Cl2N6NaO5S
Molecular Weight
579.3438
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Sodium 1-amino-4-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]anilino]-9,10-dioxoanthracene-2-sulfonate
CAS Number66295-57-6
PubChem CID53308118
IUPAC Namesodium 1-amino-4-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]anilino]-9,10-dioxoanthracene-2-sulfonate
Molecular FormulaC23H13Cl2N6NaO5S
Molecular Weight579.3
Topological Polar Surface Area188
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count38
Formal Charge0
Complexity982
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=CC=C4)NC5=NC(=NC(=N5)Cl)Cl)S(=O)(=O)[O-])N.[Na+]
InChI
InChI=1S/C23H14Cl2N6O5S.Na/c24-21-29-22(25)31-23(30-21)28-11-5-3-4-10(8-11)27-14-9-15(37(34,35)36)18(26)17-16(14)19(32)12-6-1-2-7-13(12)20(17)33;/h1-9,27H,26H2,(H,34,35,36)(H,28,29,30,31);/q;+1/p-1
InChIKey
FZKKCSCTZRPZIE-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sodium 1-amino-4-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]anilino]-9,10-dioxoanthracene-2-sulfonate
CAS: 66295-57-6
CID: 53308118
Formula: C23H13Cl2N6NaO5S
MW: 579.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight579.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass577.9942884
Monoisotopic Mass577.9942884
Topological Polar Surface Area188 Ų
Heavy Atom Count38
Formal Charge0
Complexity982
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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