Home > Compound List > Compound details
51116-00-8 molecular structure
click picture or here to close

sodium 6-(2-butanamido-6-oxo-6,9-dihydro-1H-purin-9-yl)-7-(butanoyloxy)-2-oxo-hexahydro-1,3,5,2$l^{5}-furo[3,2-d][1,3,2$l^{5}]dioxaphosphinin-2-olate

ChemBase ID: 102914
Molecular Formular: C18H23N5NaO9P
Molecular Mass: 507.366851
Monoisotopic Mass: 507.11310825
SMILES and InChIs

SMILES:
[Na+].CCCC(=O)Nc1nc2c(ncn2C2OC3COP(=O)([O-])OC3C2OC(=O)CCC)c(=O)[nH]1
Canonical SMILES:
CCCC(=O)OC1C2OP(=O)([O-])OCC2OC1n1cnc2c1nc(NC(=O)CCC)[nH]c2=O.[Na+]
InChI:
InChI=1S/C18H24N5O9P.Na/c1-3-5-10(24)20-18-21-15-12(16(26)22-18)19-8-23(15)17-14(31-11(25)6-4-2)13-9(30-17)7-29-33(27,28)32-13;/h8-9,13-14,17H,3-7H2,1-2H3,(H,27,28)(H2,20,21,22,24,26);/q;+1/p-1
InChIKey:
MGBPJXVWDGGLKI-UHFFFAOYSA-M

Cite this record

CBID:102914 http://www.chembase.cn/molecule-102914.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sodium 6-(2-butanamido-6-oxo-6,9-dihydro-1H-purin-9-yl)-7-(butanoyloxy)-2-oxo-hexahydro-1,3,5,2$l^{5}-furo[3,2-d][1,3,2$l^{5}]dioxaphosphinin-2-olate
IUPAC Traditional name
potassium 6-(2-butanamido-6-oxo-1H-purin-9-yl)-7-(butanoyloxy)-2-oxo-tetrahydro-4H-1,3,5,2$l^{5}-furo[3,2-d][1,3,2$l^{5}]dioxaphosphinin-2-olate
Synonyms
Dibutyryl-cGMP
N2,2'-O-DIBUTYRYLGUANOSINE-3',5'-cyclic-MONOPHOSPHATE SODIUM SALT
CAS Number
51116-00-8
EC Number
256-992-2
PubChem SID
162089353
PubChem CID
44134671

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02105486 external link Add to cart Please log in.
Data Source Data ID
PubChem 44134671 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.8493798  H Acceptors
H Donor LogD (pH = 5.5) -1.625391 
LogD (pH = 7.4) -1.6554657  Log P 0.57675856 
Molar Refractivity 107.6444 cm3 Polarizability 42.45612 Å3
Polar Surface Area 182.5 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Condition
0°C expand Show data source
MSDS Link
Download expand Show data source
Purity
96% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02105486 external link
Sodium Salt
Purity: 96%
Activates cGMP-dependent protein kinase and inhibits thrombin induced arachidonic acid release in human platelets.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Meyer, R.B. and Miller, J.P., Life Sci. , 14 : 1019 (1974).
  • • Francis, S.G. et al., ibid. , 34 : 506 (1988).
  • • Schultz, K.D., et al., Naunyn-Schmiedeberg's Arch. Pharmacol. , 306 : 1 (1979).
  • • Sane, D.C, et al., Biochem. Biophys. Res. Commun. , 165 : 708 (1989).
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle