Home > Compound List > Compound details
125367-34-2 molecular structure
click picture or here to close

methyl 2-{[2-(2-{2-[bis(2-methoxy-2-oxoethyl)amino]phenoxy}ethoxy)phenyl](2-methoxy-2-oxoethyl)amino}acetate

ChemBase ID: 161152
Molecular Formular: C26H32N2O10
Molecular Mass: 532.53968
Monoisotopic Mass: 532.20569523
SMILES and InChIs

SMILES:
c1cccc(c1N(CC(=O)OC)CC(=O)OC)OCCOc1ccccc1N(CC(=O)OC)CC(=O)OC
Canonical SMILES:
COC(=O)CN(c1ccccc1OCCOc1ccccc1N(CC(=O)OC)CC(=O)OC)CC(=O)OC
InChI:
InChI=1S/C26H32N2O10/c1-33-23(29)15-27(16-24(30)34-2)19-9-5-7-11-21(19)37-13-14-38-22-12-8-6-10-20(22)28(17-25(31)35-3)18-26(32)36-4/h5-12H,13-18H2,1-4H3
InChIKey:
LCPLRKMZANZSAJ-UHFFFAOYSA-N

Cite this record

CBID:161152 http://www.chembase.cn/molecule-161152.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 2-{[2-(2-{2-[bis(2-methoxy-2-oxoethyl)amino]phenoxy}ethoxy)phenyl](2-methoxy-2-oxoethyl)amino}acetate
IUPAC Traditional name
methyl 2-{[2-(2-{2-[bis(2-methoxy-2-oxoethyl)amino]phenoxy}ethoxy)phenyl](2-methoxy-2-oxoethyl)amino}acetate
Synonyms
N,N'-[1,2-Ethanediylbis(oxy-2,1-phenylene)]bis[N-(2-methoxy-2-oxoethyl)glycine 1,1'-Dimethyl Ester
Tetramethyl 1,2-Bis-(2-aminophenoxy)ethane-N,N,N’,N’-tetraacetate
BAPTA-tetramethyl Ester
CAS Number
125367-34-2
PubChem SID
162255287
PubChem CID
3452402

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC B127520 external link Add to cart
PubChem 3452402 external link
Data Source Data ID Price
TRC
B127520 external link Add to cart Please log in.
Data Source Data ID
PubChem 3452402 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1712213  LogD (pH = 7.4) 2.1712213 
Log P 2.1712213  Molar Refractivity 135.3454 cm3
Polarizability 52.545513 Å3 Polar Surface Area 130.14 Å2
Rotatable Bonds 19  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Acetone expand Show data source
Chloroform expand Show data source
Hot Methanol expand Show data source
Toluene expand Show data source
Apperance
White Solid expand Show data source
Melting Point
93-95°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - B127520 external link
BAPTA-tetramethyl ester is a lipophilic diester of BAPTA used for inhibition of proteolytic activities of certain metalloproteinases, calpain and TACE.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Tsien, R.Y., Biochemistry, 19, 2396 (1980)
  • • Wu, S.Y., et al.: J. Neurophysiology, 74, 2600 (1980)
  • • Venant, A., et al.: Biol. Cell, 85, 197 (1980)
  • • Tucker, T., et al.: Neuron, 15, 1323 (1995)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle