CAS 85233-19-8|BAPTA|bapta|2-{[2-(2-{2-[bis(carboxymethyl)amino]phenoxy}ethoxy)phenyl](carboxymethyl)amino}acetic acid|1,2-Bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid|Ethylenedioxybis(o-phe...

General Information

Structure

Molecular Formula

C₂₂H₂₄N₂O₁₀

Molecular Mass

476.43336

Exact Mass

476.14309498

Charge

InChI

InChI=1S/C22H24N2O10/c25-19(26)11-23(12-20(27)28)15-5-1-3-7-17(15)33-9-10-34-18-8-4-2-6-16(18)24(13-21(29)30)14-22(31)32/h1-8H,9-14H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32)

InChIKey

FTEDXVNDVHYDQW-UHFFFAOYSA-N

Canonic Smiles

OC(=O)CN(c1ccccc1OCCOc1ccccc1N(CC(=O)O)CC(=O)O)CC(=O)O

Isomeric Smiles

N(c1c(cccc1)OCCOc1c(cccc1)N(CC(=O)O)CC(=O)O)(CC(=O)O)CC(=O)O

Calculated Properties

JChem

LogD (pH = 7.4)

-11.50

LogD (pH = 5.5)

-5.41

Log P

1.59

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

false

Acid pKa

3.10

Polar Surface Area

174.14

Polarizability

45.64

Molar Refractivity

116.27

LOG S

-3.02

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

bapta

IUPAC name

2-{[2-(2-{2-[bis(carboxymethyl)amino]phenoxy}ethoxy)phenyl](carboxymethyl)amino}acetic acid

Synonyms

1,2-Bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acidBAPTA1,2-双(2-氨基苯氧基)乙烷-N,N,N′,N′-四乙酸Ethylenedioxybis(o-phenylenenitrilo)tetraacetic acid2,2′-(Ethylenedioxy)dianiline-N,N,N′,N′-tetraacetic acid2,2′-(亚乙二氧基)双苯胺-N,N,N′,N′-四乙酸1,2-Bis(2-Aminophenoxy)ethane-N,N,N′,N′-tetraacetic acid亚乙二氧基双(邻亚苯基次氮基)四乙酸BAPTABAPTA1,2-Bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic Acid1,2-双(2-氨基苯氧基)乙烷-N,N,N',N'-四乙酸1,2-Bis-(2-aminophenoxy)ethane N,N,N',N'-tetraacetic acidN,N'-[1,2-Ethanediylbis(oxy-2,1-phenylene)]bis[N-(carboxymethyl)glycine1,2-Bis(o-aminophenoxy)ethane-N,N,N',N'-tetraacetic acidBapeta1,2-Bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid

Names and Identifiers

Registration numbers

Chemspider ID

CHEBI ID

PubChem CID

CAS Number

Wikipedia Title

MDL Number

Beilstein Number

Merck Index

PubChem SID

2484870224890924162067993104222373

Reaxys Registry

5192406

BRENDA Database

3.2.1.1143.1.4.114.6.1.12.4.1.342.7.1.154

UniProt Database

A2WWV5Q7Z1E6

CompTox Database

DTXSID30234432

CHEMBL

CHEMBL1590868

BRENDA Ligand Database

SureChEMBL Database

BKMS React Database

ACToR Database

Registration numbers

Properties

Safety Information

Irritant/Store at -20°C

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Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Apollo Scientific

OR2350T

A highly selective calcium-ion chelating reagent.

Wikipedia

BAPTA

Sigma Aldrich

A4926

Packaging
1, 5 g in poly bottle
250 mg in poly bottle

14510

Application
Highly selective calcium chelating reagent. Suitable for the spectrophotometric monitoring of Ca2+ levels

TRC

B123500

BAPTA is a highly selective calcium chelating reagent. Lipophilic diesters of the chelating agent 1,2-Bis(2 aminophenoxy)ethane-N,N,N',N'-tetraacetic acid (BAPTA) are used for inhibition of proteolytic activities of certain metalloproteinases, calpain and

ChEBI

CHEBI:60888

A polyamino carboxylic acid in which bis(carboxymethyl)nitrilo groups are bonded to C-2 and C-2' of 1,1'-[ethane-1,2-diylbis(oxy)]dibenzene.

Molecule Details

References

PubChem Literature

From Data Sources

• Wu, S.Y., et al.: J. Neurophysiology, 74, 2600 (1980)

• Tsien, R.Y., Biochemistry, 19, 2396 (1980)

• Venant, A., et al.: Biol. Cell, 85, 197 (1980)

• Tucker, T., et al.: Neuron, 15, 1323 (1995)

References

Bioactivity

PubChem BioAssay

Bioactivity

Navigation

General Information

Calculated Properties

• RDKit

• JChem

Data Source

• Commercial Catalog

• Academic Data

Data Source

Names and Identifiers

• IUPAC Traditional name

• IUPAC name

• Synonyms

Names and Identifiers

Registration numbers

• Chemspider ID

• CHEBI ID

• PubChem CID

• CAS Number

• Wikipedia Title

• MDL Number

• Beilstein Number

• Merck Index

• PubChem SID

• Reaxys Registry

• BRENDA Database

• UniProt Database

• CompTox Database

• CHEMBL

• BRENDA Ligand Database

• SureChEMBL Database

• BKMS React Database

• ACToR Database

Registration numbers

Properties

• Safety Information

• Physical Property

• Product Information

• Apollo Scientific

• Wikipedia

• Sigma Aldrich

• TRC

• ChEBI

Molecule Details

References

• PubChem Literature

• From Data Sources

References

Bioactivity

• PubChem BioAssay

Bioactivity

CAS Number

Wikipedia Title

MDL Number

Beilstein Number

Reaxys Registry

UniProt Database

CompTox Database

BRENDA Ligand Database

SureChEMBL Database

BKMS React Database

ACToR Database

OR2350T

A highly selective calcium-ion chelating reagent.

Sigma Aldrich

A4926

Packaging
1, 5 g in poly bottle
250 mg in poly bottle

14510

Application
Highly selective calcium chelating reagent. Suitable for the spectrophotometric monitoring of Ca2+ levels

TRC

B123500

ChEBI

CHEBI:60888

A polyamino carboxylic acid in which bis(carboxymethyl)nitrilo groups are bonded to C-2 and C-2' of 1,1'-[ethane-1,2-diylbis(oxy)]dibenzene.

From Data Sources

• Wu, S.Y., et al.: J. Neurophysiology, 74, 2600 (1980)

• Tsien, R.Y., Biochemistry, 19, 2396 (1980)

• Venant, A., et al.: Biol. Cell, 85, 197 (1980)

• Tucker, T., et al.: Neuron, 15, 1323 (1995)

Safety Information

Irritant/Store at -20°C

Download link

IUPAC Traditional name

bapta

IUPAC name

2-{[2-(2-{2-[bis(carboxymethyl)amino]phenoxy}ethoxy)phenyl](carboxymethyl)amino}acetic acid

Synonyms

GHS Signal Word

Warning

GHS Precautionary statements

P261-P305+P351+P338

P261-P305+P351+P338-P302+P352-P321-P405-P501A

German water hazard class

Safety Statements

26-36

26-37

Storage Temperature

2-8°C

European Hazard Symbols

Irritant (Xi)

GHS Hazard statements

H315-H319-H335

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Risk Statements

36/37/38

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Storage Condition

-20°C Freezer

RTECS

MC0423000

TSCA Listed

否

Physical Property

Product Information

Molecule

ID:80874