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8-Bromo-cGMP sodium

CAT: 0013-GTR19204122-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204122-01Size:50 mg
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Description
8-Bromo-cGMP sodium
CAS Number
51116-01-9
Product Name Alternative
Ca2+, CalciumChannel, Calcium Channel, 8 Bromo cGMP sodium, 8BromocGMP sodium, 8-Bromo-cGMP sodium, PKG
Field of Research
Metabolism Research, Pharmacology & Drug Discovery, Signal Transduction
Purity
99.15% (May vary between batches)
Solubility
H2O:101 mg/mL (226.41 mM)
Smiles
BrC1=NC (C (N=C (N2) N) =O) =C2N1[C@H]3[C@@H] ([C@@]4 ([H]) [C@] (COP ([O-]) (O4) =O) ([H]) O3) O.[Na+]
Molecular Formula
C10H10BrN5NaO7P
Molecular Weight
446.09
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Guanosine, 8-bromo-, cyclic 3',5'-(hydrogen phosphate), monosodiumsalt

Sodium 8-bromo-3',5'-cyclic GMP is an organic sodium salt having 8-bromoguanosine 3',5'-cyclic phosphate as the counterion. A membrane permeable cGMP analogue that activates protein kinase G (PKG). It is 4.3-fold more potent than cGMP in activating PKG1alpha and promotes relaxation of tracheal and vascular smooth muscle tissue in vitro. It has a role as a muscle relaxant and a protein kinase G agonist. It contains an 8-bromo-3',5'-cyclic GMP(1-).

CAS Number51116-01-9
PubChem CID135419185
IUPAC Namesodium 9-[(4aR,6R,7R,7aS)-7-hydroxy-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-amino-8-bromo-1H-purin-6-one
Molecular FormulaC10H10BrN5NaO7P
Molecular Weight446.08
Topological Polar Surface Area173
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count1
Heavy Atom Count25
Formal Charge0
Complexity657
SMILES
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=C(C(=O)NC(=N4)N)N=C3Br)O)OP(=O)(O1)[O-].[Na+]
InChI
InChI=1S/C10H11BrN5O7P.Na/c11-9-13-3-6(14-10(12)15-7(3)18)16(9)8-4(17)5-2(22-8)1-21-24(19,20)23-5;/h2,4-5,8,17H,1H2,(H,19,20)(H3,12,14,15,18);/q;+1/p-1/t2-,4-,5-,8-;/m1./s1
InChIKey
ZJRFCXHKYQVNFK-YEOHUATISA-M
Chemical Structure
2D Structure
2D structure of Guanosine, 8-bromo-, cyclic 3',5'-(hydrogen phosphate), monosodiumsalt
CAS: 51116-01-9
CID: 135419185
Formula: C10H10BrN5NaO7P
MW: 446.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.08
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count1
Exact Mass444.93989
Monoisotopic Mass444.93989
Topological Polar Surface Area173 Ų
Heavy Atom Count25
Formal Charge0
Complexity657
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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