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DP-b99

CAT: 0013-GTR19194619-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19194619-01Size:50 mg
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Description
DP-B 99 (DP-BAPTA-99) is a cell-permeable calcium chelator investigated as a potential therapeutic agent for acute pancreatitis. Research in both cellular and animal models focuses on its ability to modulate intracellular calcium signaling, which is a key pathological mechanism in pancreatic acinar cell injury.
CAS Number
222315-88-0
Smiles
CCCCCCCCOCCOC (=O) CN (CC (O) =O) c1ccccc1OCCOc1ccccc1N (CC (O) =O) CC (=O) OCCOCCCCCCCC
Molecular Formula
C42H64N2O12
Molecular Weight
788.96
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

DP-b99

DP-b99 is a newly developed lipophilic, cell permeable derivative of BAPTA (1,2-bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid), that is under development as a neuroprotectant for the potential treatment of stroke, head trauma and neurological damage associated with coronary artery bypass graft.

CAS Number222315-88-0
PubChem CID9810955
IUPAC Name2-[2-[2-[2-[carboxymethyl-[2-(2-octoxyethoxy)-2-oxoethyl]amino]phenoxy]ethoxy]-N-[2-(2-octoxyethoxy)-2-oxoethyl]anilino]acetic acid
Molecular FormulaC42H64N2O12
Molecular Weight789.0
XLogP9.4
Topological Polar Surface Area171
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count37
Heavy Atom Count56
Formal Charge0
Complexity969
SMILES
CCCCCCCCOCCOC(=O)CN(CC(=O)O)C1=CC=CC=C1OCCOC2=CC=CC=C2N(CC(=O)O)CC(=O)OCCOCCCCCCCC
InChI
InChI=1S/C42H64N2O12/c1-3-5-7-9-11-17-23-51-25-27-55-41(49)33-43(31-39(45)46)35-19-13-15-21-37(35)53-29-30-54-38-22-16-14-20-36(38)44(32-40(47)48)34-42(50)56-28-26-52-24-18-12-10-8-6-4-2/h13-16,19-22H,3-12,17-18,23-34H2,1-2H3,(H,45,46)(H,47,48)
InChIKey
FTGBVHPWUIHWRH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DP-b99
CAS: 222315-88-0
CID: 9810955
Formula: C42H64N2O12
MW: 789.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight789.0
XLogP39.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count37
Exact Mass788.44592548
Monoisotopic Mass788.44592548
Topological Polar Surface Area171 Ų
Heavy Atom Count56
Formal Charge0
Complexity969
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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