DP-b99

CAT: 0931-T31569-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-T31569-01Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

222315-88-0

Target

Others

Related Pathways

Others

Bioactivity

DP-B 99 (DP-B 99, DP-BAPTA-99, DPB-99, DP-BAPTA-99) is a potential chelating agent for the treatment of acute pancreatitis.

Smiles

CCCCCCCCOCCOC(=O)CN(CC(O)=O)c1ccccc1OCCOc1ccccc1N(CC(O)=O)CC(=O)OCCOCCCCCCCC

Molecular Formula

C42H64N2O12

Molecular Weight

788.96

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

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 Number	222315-88-0
PubChem CID	9810955
IUPAC Name	2-[2-[2-[2-[carboxymethyl-[2-(2-octoxyethoxy)-2-oxoethyl]amino]phenoxy]ethoxy]-N-[2-(2-octoxyethoxy)-2-oxoethyl]anilino]acetic acid
Molecular Formula	C42H64N2O12
Molecular Weight	789.0
XLogP	9.4
Topological Polar Surface Area	171
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	37
Heavy Atom Count	56
Formal Charge	0
Complexity	969

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

CAS: 222315-88-0

CID: 9810955

Formula: C42H64N2O12

MW: 789.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	789.0
XLogP3	9.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	37
Exact Mass	788.44592548
Monoisotopic Mass	788.44592548
Topological Polar Surface Area	171 Å²
Heavy Atom Count	56
Formal Charge	0
Complexity	969
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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MBS5781171	DP-b99
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sc-53308 FITC	HLA-DP (DP 11.1) FITC
sc-53308 PE	HLA-DP (DP 11.1) PE
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DP-b99

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