CAS 126150-97-8|1,2-bis(o-AMINOPHENOXY)ETHANE-N,N,N',N'-TETRAACETIC ACID TETRAACETOXYMETHYL ESTER|(acetyloxy)methyl 2-({2-[(acetyloxy)methoxy]-2-oxoethyl}[2-(2-{2-[bis({2-[(acetyloxy)methoxy]-2-oxoe...

General Information

Structure

Molecular Formula

C₃₄H₄₀N₂O₁₈

Molecular Mass

764.684

Exact Mass

764.22761245

Charge

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

Canonic Smiles

O=C(CN(c1ccccc1OCCOc1ccccc1N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)OCOC(=O)C

Isomeric 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

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.6157187

LogD (pH = 7.4)

1.6157187

Log P

1.6157187

Molar Refractivity

176.3586

Polarizability

70.69166

Polar Surface Area

235.34

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Names and Identifiers

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

Synonyms

1,2-bis(o-AMINOPHENOXY)ETHANE-N,N,N',N'-TETRAACETIC ACID TETRAACETOXYMETHYL ESTERBAPTA-AM1,2-Bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid, tetraacetoxymethyl esterBAPTA-AM1,2-Bis(2-aminophenoxy)ethane-N,N,N′,N′-tetraacetic acid tetrakis(acetoxymethyl ester)BAPTA-AMN,N'-[1,2-Ethanediylbis(oxy-2,1-phenylene)]bis[N-[2-[(acetyloxy)methoxy]-2-oxoethyl]glycine 1,1'-Bis[(acetyloxy)methyl] Ester1,2-Bis(2-aminophenoxy)ethane-N,N,N’,N’-tetraacetic Acid Tetraacetoxymethyl Ester

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

Names and Identifiers

Registration numbers

CAS Number

126150-97-8

PubChem SID

2489050216206819024847309

MDL Number

MFCD00036696

Beilstein Number

7458534

PubChem CID

2293

Registration numbers

Properties

Physical Property

Solubility

Chloroform

DMSO

Apperance

White to Off-White Solid

Melting Point

94-96°C

Pharmacology Properties

Target

Others

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Apollo Scientific

OR2370T

A cell permeable derivative of BAPTA.

MP Biomedicals

02195709

Purity: >90%
A cell permeable derivative of BAPTA widely used as an intracellular calcium sponge.

Sigma Aldrich

A1076

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Biochem/physiol Actions
Selective chelator of intracellular Ca2+ stores.
Linkage
Membrane-permeable form of BAPTA.

11696

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

TRC

B123700

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

Molecule Details

References

PubChem Literature

From Data Sources

• Chen, W., et al.: Mol. Endocrinol., 22, 1754 (2008)

• Tonkikh, A., et al.: Neurosci., 159, 1300 (2008)

• Li, B., et al.: Brain Res., 1226, 199 (2008)

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

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

Synonyms

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

Registration numbers

CAS Number

126150-97-8

PubChem SID

2489050216206819024847309

MDL Number

Beilstein Number

PubChem CID

Molecule Details

OR2370T

A cell permeable derivative of BAPTA.

MP Biomedicals

02195709

Purity: >90%
A cell permeable derivative of BAPTA widely used as an intracellular calcium sponge.

Sigma Aldrich

A1076

11696

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

TRC

B123700

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

PubChem Literature

From Data Sources

• Chen, W., et al.: Mol. Endocrinol., 22, 1754 (2008)

• Tonkikh, A., et al.: Neurosci., 159, 1300 (2008)

• Li, B., et al.: Brain Res., 1226, 199 (2008)

Bioactivity

PubChem BioAssay

Properties

Physical Property

Solubility

Chloroform

DMSO

Apperance

White to Off-White Solid

Melting Point

94-96°C

Pharmacology Properties

Target

Others

Molecule

ID:81071