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126150-97-8 molecular structure
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(acetyloxy)methyl 2-({2-[(acetyloxy)methoxy]-2-oxoethyl}[2-(2-{2-[bis({2-[(acetyloxy)methoxy]-2-oxoethyl})amino]phenoxy}ethoxy)phenyl]amino)acetate

ChemBase ID: 81071
Molecular Formular: C34H40N2O18
Molecular Mass: 764.684
Monoisotopic Mass: 764.22761245
SMILES and InChIs

SMILES:
N(c1c(cccc1)OCCOc1c(cccc1)N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C
Canonical SMILES:
O=C(CN(c1ccccc1OCCOc1ccccc1N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)OCOC(=O)C
InChI:
InChI=1S/C34H40N2O18/c1-23(37)47-19-51-31(41)15-35(16-32(42)52-20-48-24(2)38)27-9-5-7-11-29(27)45-13-14-46-30-12-8-6-10-28(30)36(17-33(43)53-21-49-25(3)39)18-34(44)54-22-50-26(4)40/h5-12H,13-22H2,1-4H3
InChIKey:
YJIYWYAMZFVECX-UHFFFAOYSA-N

Cite this record

CBID:81071 http://www.chembase.cn/molecule-81071.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(acetyloxy)methyl 2-({2-[(acetyloxy)methoxy]-2-oxoethyl}[2-(2-{2-[bis({2-[(acetyloxy)methoxy]-2-oxoethyl})amino]phenoxy}ethoxy)phenyl]amino)acetate
IUPAC Traditional name
(acetyloxy)methyl 2-({2-[(acetyloxy)methoxy]-2-oxoethyl}[2-(2-{2-[bis({2-[(acetyloxy)methoxy]-2-oxoethyl})amino]phenoxy}ethoxy)phenyl]amino)acetate
Synonyms
1,2-Bis(2-aminophenoxy)ethane-N,N,N′,N′-tetraacetic acid tetrakis(acetoxymethyl ester)
BAPTA-AM
N,N'-[1,2-Ethanediylbis(oxy-2,1-phenylene)]bis[N-[2-[(acetyloxy)methoxy]-2-oxoethyl]glycine 1,1'-Bis[(acetyloxy)methyl] Ester
1,2-Bis(2-aminophenoxy)ethane-N,N,N’,N’-tetraacetic Acid Tetraacetoxymethyl Ester
BAPTA-AM
BAPTA-AM
1,2-Bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid, tetraacetoxymethyl ester
1,2-bis(o-AMINOPHENOXY)ETHANE-N,N,N',N'-TETRAACETIC ACID TETRAACETOXYMETHYL ESTER
CAS Number
126150-97-8
MDL Number
MFCD00036696
Beilstein Number
7458534
PubChem SID
24890502
162068190
24847309
PubChem CID
2293

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors 12  H Donor
LogD (pH = 5.5) 1.6157187  LogD (pH = 7.4) 1.6157187 
Log P 1.6157187  Molar Refractivity 176.3586 cm3
Polarizability 70.69166 Å3 Polar Surface Area 235.34 Å2
Rotatable Bonds 31  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
DMSO expand Show data source
Apperance
White to Off-White Solid expand Show data source
Melting Point
94-96°C expand Show data source
Storage Condition
-20°C expand Show data source
Hygroscopic, -20°C Freezer, Under Inert Atmosphere expand Show data source
Storage Warning
Irritant/Store at -20°C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
-20°C expand Show data source
Target
Others expand Show data source
Purity
>90% expand Show data source
≥95% (HPLC) expand Show data source
≥98.0% (HPLC) expand Show data source
Salt Data
Free Base expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Empirical Formula (Hill Notation)
C34H40N2O18 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Apollo Scientific Apollo Scientific Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 02195709 external link
Purity: >90%
A cell permeable derivative of BAPTA widely used as an intracellular calcium sponge.
Apollo Scientific Ltd - OR2370T external link
A cell permeable derivative of BAPTA.
Sigma Aldrich - A1076 external link
Frequently Asked Questions
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Biochem/physiol Actions
Selective chelator of intracellular Ca2+ stores.
Linkage
Membrane-permeable form of BAPTA.
Sigma Aldrich - 11696 external link
Other Notes
Membrane-permeable form of BAPTA. Can be loaded into cells where it is hydrolysed by cytosolic esterases and trapped as the active chelator1
Toronto Research Chemicals - B123700 external link
BAPTA-AM is a lipophilic diester of BAPTA used for inhibition of proteolytic activities of certain metalloproteinases, calpain and TACE. Fluorescence: max. Abs. 287nm; e x 10-3: 5.9

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Li, B., et al.: Brain Res., 1226, 199 (2008)
  • • Chen, W., et al.: Mol. Endocrinol., 22, 1754 (2008)
  • • Tonkikh, A., et al.: Neurosci., 159, 1300 (2008)
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PATENTS

PATENTS

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INTERNET

INTERNET

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