Home > Compound List > Compound details
51116-01-9 molecular structure
click picture or here to close

sodium 6-(2-amino-8-bromo-6-oxo-6,9-dihydro-1H-purin-9-yl)-7-hydroxy-2-oxo-hexahydro-1,3,5,2$l^{5}-furo[3,2-d][1,3,2$l^{5}]dioxaphosphinin-2-olate

ChemBase ID: 105123
Molecular Formular: C10H10BrN5NaO7P
Molecular Mass: 446.083231
Monoisotopic Mass: 444.9398906
SMILES and InChIs

SMILES:
[Na+].Nc1nc2c(nc(Br)n2C2OC3COP(=O)([O-])OC3C2O)c(=O)[nH]1
Canonical SMILES:
OC1C2OP(=O)([O-])OCC2OC1n1c(Br)nc2c1nc(N)[nH]c2=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
InChIKey:
ZJRFCXHKYQVNFK-UHFFFAOYSA-M

Cite this record

CBID:105123 http://www.chembase.cn/molecule-105123.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sodium 6-(2-amino-8-bromo-6-oxo-6,9-dihydro-1H-purin-9-yl)-7-hydroxy-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-amino-8-bromo-6-oxo-1H-purin-9-yl)-7-hydroxy-2-oxo-tetrahydro-4H-1,3,5,2$l^{5}-furo[3,2-d][1,3,2$l^{5}]dioxaphosphinin-2-olate
Synonyms
8-Bromo-cGMP
8-BROMOGUANOSINE-3',5'-cyclic-MONOPHOSPHATE SODIUM SALT
CAS Number
51116-01-9
EC Number
256-993-8
PubChem SID
162091943
PubChem CID
44134592

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02158880 external link Add to cart Please log in.
Data Source Data ID
PubChem 44134592 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.9035653  H Acceptors
H Donor LogD (pH = 5.5) -3.215349 
LogD (pH = 7.4) -3.245903  Log P -1.1080263 
Molar Refractivity 78.2181 cm3 Polarizability 30.848368 Å3
Polar Surface Area 173.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Condition
-20°C, Desiccate 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 - 02158880 external link
Sodium Salt
Purity: 96%
Activates cGMP-dependent protein kinase. Inhibitor of thrombin induced arachidonic acid release in human platelets.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Sane, D.C., et al., Biochem. Biophys. Res. Commun. , 165 : 708 (1989).
  • • 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).
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle