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Sp-8-pCPT-PET-cGMPS

CAT: 0013-GTR19236968-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236968-01Size:25 mg
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Description
Sp-8-pCPT-PET-cGMPS is a potent and selective activator of protein kinase G I (PKG-I) . This cell-permeable cGMP analog is widely used in cardiovascular research to investigate the NO/cGMP/PKG signaling pathway in processes such as cardiac differentiation, both in vitro and in vivo.
CAS Number
1262749-63-2
Field of Research
Signal Transduction
Smiles
S (C=1N (C2=C (N1) C (=O) N3C (N2) =NC (=C3) C4=CC=CC=C4) [C@@H]5O[C@]6 ([C@] ([C@H]5O) (OP (=O) (S) OC6) [H]) [H]) C7=CC=C (Cl) C=C7
Molecular Formula
C24H19ClN5O6PS2
Molecular Weight
603.99
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-(4-chlorophenyl)sulfanyl-6-phenyl-5H-imidazo[1,2-a]purin-9-one
CAS Number1262749-63-2
PubChem CID44755061
IUPAC Name3-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-(4-chlorophenyl)sulfanyl-6-phenyl-5H-imidazo[1,2-a]purin-9-one
Molecular FormulaC24H19ClN5O6PS2
Molecular Weight604.0
XLogP3.4
Topological Polar Surface Area188
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count39
Formal Charge0
Complexity1100
SMILES
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=C(C(=O)N5C=C(NC5=N4)C6=CC=CC=C6)N=C3SC7=CC=C(C=C7)Cl)O)OP(=S)(O1)O
InChI
InChI=1S/C24H19ClN5O6PS2/c25-13-6-8-14(9-7-13)39-24-27-17-20(30(24)22-18(31)19-16(35-22)11-34-37(33,38)36-19)28-23-26-15(10-29(23)21(17)32)12-4-2-1-3-5-12/h1-10,16,18-19,22,31H,11H2,(H,26,28)(H,33,38)/t16-,18-,19-,22-,37?/m1/s1
InChIKey
AYHAIQBDFVJMQL-ZSXHPBQESA-N
Chemical Structure
2D Structure
2D structure of 3-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-(4-chlorophenyl)sulfanyl-6-phenyl-5H-imidazo[1,2-a]purin-9-one
CAS: 1262749-63-2
CID: 44755061
Formula: C24H19ClN5O6PS2
MW: 604.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight604.0
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass603.0202904
Monoisotopic Mass603.0202904
Topological Polar Surface Area188 Ų
Heavy Atom Count39
Formal Charge0
Complexity1100
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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BML-CN206-0001Rp-8-pCPT-cGMPS . sodium salt
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