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BPDA2

CAT: 0804-HY-152208-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-152208-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BPDA2 is a highly selective and competitive active site SHP2 inhibitor with IC50s of 92.0 nM, 33.39 μM, 40.71 μM for SHP2, SHP1, SHP1B, respectively. DBDA2 downregulates mitogenic and cell survival signaling and RTK expression. BPDA2 suppresses SHP2 mediated signaling and breast cancer cell phenotypes[1].
CAS Number
2907659-86-1
UNSPSC
12352005
Target
SHP1; SHP2
Type
Reference compound
Related Pathways
Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/bpda2.html
Purity
99.30
Solubility
10 mM in DMSO
Smiles
CCCCCCCCCOC1=CC=C(C=C1C(O)=O)C2=CC=C(C=C2)CC(O)=O
Molecular Formula
C24H30O5
Molecular Weight
398.49
References & Citations
[1]Dhanaji M Lade, et al. Design and synthesis of improved active-site SHP2 inhibitors with anti-breast cancer cell effects. Eur J Med Chem. 2023 Feb 5;247:115017.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

5-[4-(Carboxymethyl)phenyl]-2-nonoxybenzoic acid
CAS Number2907659-86-1
PubChem CID166642571
IUPAC Name5-[4-(carboxymethyl)phenyl]-2-nonoxybenzoic acid
Molecular FormulaC24H30O5
Molecular Weight398.5
XLogP6.5
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Heavy Atom Count29
Formal Charge0
Complexity484
SMILES
CCCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)CC(=O)O)C(=O)O
InChI
InChI=1S/C24H30O5/c1-2-3-4-5-6-7-8-15-29-22-14-13-20(17-21(22)24(27)28)19-11-9-18(10-12-19)16-23(25)26/h9-14,17H,2-8,15-16H2,1H3,(H,25,26)(H,27,28)
InChIKey
ZNUFCVFEZWEKRQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-[4-(Carboxymethyl)phenyl]-2-nonoxybenzoic acid
CAS: 2907659-86-1
CID: 166642571
Formula: C24H30O5
MW: 398.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.5
XLogP36.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Exact Mass398.20932405
Monoisotopic Mass398.20932405
Topological Polar Surface Area83.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity484
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

Alternative Products

CatalogName
M36541-01BPDA2

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