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Rp-8-pCPT-cGMPS

CAT: 0013-GTR19237887-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19237887-01Size:50 mg
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Description
Rp-8-pCPT-cGMPS is a cell-permeable, competitive PKG inhibitor (Ki=0.5 μM) used to study cGMP-dependent signaling. Its application extends to in vitro and in vivo research on PKG function in systems such as platelet aggregation, smooth muscle, and neuronal activity.
CAS Number
153660-04-9
Smiles
S (C=1N (C2=C (N1) C (=O) N=C (N) N2) [C@H]3[C@H] (O) [C@]4 ([C@] (O3) (COP (=O) (S) O4) [H]) [H]) C5=CC=C (Cl) C=C5
Molecular Formula
C16H15ClN5O6PS2
Molecular Weight
503.88
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Rp-8-pCPT-cyclic GMPS Sodium
CAS Number153660-04-9
PubChem CID136240576
IUPAC Namesodium 9-[(4aR,6R,7R,7aS)-7-hydroxy-2-oxido-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-amino-8-(4-chlorophenyl)sulfanyl-1H-purin-6-one
Molecular FormulaC16H14ClN5NaO6PS2
Molecular Weight525.9
Topological Polar Surface Area214
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity826
SMILES
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=C(C(=O)NC(=N4)N)N=C3SC5=CC=C(C=C5)Cl)O)OP(=S)(O1)[O-].[Na+]
InChI
InChI=1S/C16H15ClN5O6PS2.Na/c17-6-1-3-7(4-2-6)31-16-19-9-12(20-15(18)21-13(9)24)22(16)14-10(23)11-8(27-14)5-26-29(25,30)28-11;/h1-4,8,10-11,14,23H,5H2,(H,25,30)(H3,18,20,21,24);/q;+1/p-1/t8-,10-,11-,14-,29?;/m1./s1
InChIKey
JERAACMSJYSCBY-OZOPYAHTSA-M
Chemical Structure
2D Structure
2D structure of Rp-8-pCPT-cyclic GMPS Sodium
CAS: 153660-04-9
CID: 136240576
Formula: C16H14ClN5NaO6PS2
MW: 525.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight525.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass524.9709345
Monoisotopic Mass524.9709345
Topological Polar Surface Area214 Ų
Heavy Atom Count32
Formal Charge0
Complexity826
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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