DRL offers a portfolio of products & services, including APIs, CMO services, generics, biosimilars & differentiated formulations.

Contact Supplier

Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

DEVELOPMENTS

24 Drugs in Development

24 Drugs in Development

DIGITAL CONTENT

1 NEWS #PharmaBuzz

media
1 NEWS #PharmaBuzz

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

API

FDF

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

24DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 1632032-53-1, 0c1juu9s0l, Lb100, Lb 100, Empm, (1r,4s)-3-(4-methylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

Molecular Formula

C₁₃H₂₀N₂O₄

Molecular Weight

268.31 g/mol

InChI Key

JUQMLSGOTNKJKI-IZUQBHJASA-N

FDA UNII

0C1JUU9S0L

Protein Phosphatase 2A Inhibitor LB-100 is a water soluble inhibitor of the protein phosphatase 2A (PP2A), with potential chemo- and radiotherapy enhancing activity. Upon injection, PP2A inhibitor LB-100 inhibits the removal of phosphate groups from proteins essential for cell cycle progression. When used with radio- or chemotherapy treatment, this agent prevents the activation of PP2A-mediated repair mechanisms and allows for malignant cells to progress through the cell cycle without having their damaged DNA repaired. This enhances the cytotoxic effect of the chemotherapeutic or radiotherapeutic agent and results in tumor cell apoptosis. PP2A, a serine/threonine phosphatase that plays a key role in the control of cell growth and DNA damage repair.

1 2D Structure

LB-100

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1R,4S)-3-(4-methylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

2.1.2 InChI

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)/t8-,9+,10?,11?/m0/s1

2.1.3 InChI Key

JUQMLSGOTNKJKI-IZUQBHJASA-N

2.1.4 Canonical SMILES

CN1CCN(CC1)C(=O)C2C3CCC(C2C(=O)O)O3

2.1.5 Isomeric SMILES

CN1CCN(CC1)C(=O)C2[C@@H]3CC[C@H](C2C(=O)O)O3

2.2 Other Identifiers

2.2.1 UNII

0C1JUU9S0L

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Lb100

2.3.2 Depositor-Supplied Synonyms

1. 1632032-53-1

2. 0c1juu9s0l

3. Lb100

4. Lb 100

5. Empm

6. (1r,4s)-3-(4-methylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic Acid

7. 3-((4-methylpiperazin-1-yl)carbonyl)-7-oxabicyclo(2.2.1)heptane-2-carboxylic Acid

8. 7-oxabicyclo(2.2.1)heptane-2-carboxylic Acid, 3-((4-methyl-1-piperazinyl)carbonyl)-, (1r,4s)-rel-

9. 7-oxabicyclo[2.2.1]heptane-2-carboxylic Acid, 3-[(4-methyl-1-piperazinyl)carbonyl]-, (1r,4s)-rel-

10. 3-[(4-methylpiperazin-1-yl)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic Acid

11. Unii-0c1juu9s0l

12. Schembl9880148

13. (1r,4s)-lb-100

14. Chembl4297300

15. Gtpl11105

16. Dtxsid201132163

17. Mfcd28167839

18. Db15412

19. Q27895894

20. (1r,4s)-3-[(4-methylpiperazin-1-yl)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic Acid

2.4 Create Date

2010-04-12

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₂₀N₂O₄
Molecular Weight	268.31 g/mol
XLogP3	-3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	268.14230712 g/mol
Monoisotopic Mass	268.14230712 g/mol
Topological Polar Surface Area	70.1 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	392
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Antineoplastic Agents

Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)

Enzyme Inhibitors

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)

Drugs in Development