10mM in Water for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information
LB-100 LB-100 is a water soluble protein phosphatase 2A (PP2A) inhibitor with IC50s of 0.85 μM and 3.87 μM in BxPc-3 and Panc-1 cells.
Targets
PP2A
In vitro
LB-100 inhibits the cell growth with IC50 of 2.3 μM (in BxPc-3) or 1.7 μM (in Panc-1 cell). In BxPc-3, Panc-1, and SW1990 cells, LB-100 reduces the PP2A activity by 30-50%. LB-100 increases concentration of doxorubicin within cells (2.5 fold to control) and sensitizes tumor cells to the cytotoxicity of doxorubicin. LB-100 increaseds VEGF secretion, and thus enhances HIF-1α-VEGF mediated angiogenesis.
In vivo
In a mouse pancreatic cancer xenograft model, LB-100 (2 mg/kg, i.p.) enhances chemotherapy of doxorubicin. LB-100 causes higher density of microvessel in tumors and rapid blood flow at the surface of tumors.
Cell Research(from reference)
Cell lines：BxPc-3, and Panc-1 cell lines
Concentrations：~ 10 μM
Incubation Time：48 h
| ALogP | -3.624 |
|---|---|
| hba_count | 3 |
| Rotatable Bond | 2 |
| Canonical Smiles | CN1CCN(CC1)C(=O)C2C3CCC(C2C(=O)O)O3 |
|---|---|
| IUPAC Name | 3-(4-methylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid |
| InChIKey | JUQMLSGOTNKJKI-UHFFFAOYSA-N |
| INCHI | 1S/C13H20N2O4/c1-14-4-6-15(7-5-14)12(16)10-8-2-3-9(19-8)11(10)13(17)18/h8-11H,2-7H2,1H3,(H,17,18) |
| Isomeric SMILES | CN1CCN(CC1)C(=O)C2C3CCC(C2C(=O)O)O3 |
| Molecular Weight | 268.31 |
| Reaxy-Rn | 18935366 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18935366&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | N-alkylpiperazines |
| Direct Parent | N-methylpiperazines |
| Alternative Parents | Tertiary carboxylic acid amides Oxolanes Trialkylamines Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | N-methylpiperazine - Oxolane - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Amino acid - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Amine - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-methylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries a methyl group. |
| External Descriptors | Not available |
| DMSO(mg / mL) Max Solubility | ＜1 |
|---|---|
| Water(mg / mL) Max Solubility | 53 |
| Water(mM) Max Solubility | 197.5327047 |
| Molecular Weight | 268.310 g/mol |
| XLogP3 | -3.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 268.142 Da |
| Monoisotopic Mass | 268.142 Da |
| Topological Polar Surface Area | 70.100 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 392.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Zekun Li, Mochen Guo, Mingxiao Gu, Zhongtian Cai, Qiuyu Wu, Jia Yu, Meilun Tang, Chenxi He, Yuxuan Wang, Piaoyang Sun, Qidong You, Lei Wang. (2024) Design and Synthesis of 7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic Acid Derivatives as PP5 Inhibitors To Reverse Temozolomide Resistance in Glioblastoma Multiforme. JOURNAL OF MEDICINAL CHEMISTRY, [PMID:39136241] [10.1021/acs.jmedchem.4c01304] |
