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LB-100

CAT: 0013-GTR19163857-09Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19163857-09Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
LB-100 (LB100) is a potent serine/threonine protein phosphatase 2A (PP2A) inhibitor; exhibits inhibitory effect in HCC cell lines Huh-7, HepG2, Hep3B, and SNU-449 with mean IC50 of 10 uM; synergistically enhances the activity of doxorubicin and induces expression of HIF-1α and VEGF; significantly enhances tumor growth inhibition by cisplatin in vivo.Brain Cancer Phase 1 Clinical.
CAS Number
1632032-53-1
Product Name Alternative
LB100
Purity
>98% (HPLC)
Solubility
H2O: ≥ 48 mg/mL; DMSO: < 2.9 mg/mL
Smiles
O=C (C1C (O2) CCC2C1C (N3CCN (C) CC3) =O) O
Molecular Formula
C13H20N2O4
Molecular Weight
268.3089
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
7-Oxabicyclo[2.2.1]heptane-2-carboxylic acid, 3-[ (4-methyl-1-piperazinyl) carbonyl]-, (1R,4S) -rel-

Chemical Information

3-((4-Methylpiperazin-1-yl)carbonyl)-7-oxabicyclo(2.2.1)heptane-2-carboxylic acid

LB-100 is under investigation in clinical trial NCT03886662 (A Study of LB-100 in Patients With Low or Intermediate-1 Risk Myelodysplastic Syndromes (MDS)).

CAS Number1632032-53-1
PubChem CID45101433
IUPAC Name(1R,4S)-3-(4-methylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Molecular FormulaC13H20N2O4
Molecular Weight268.31
XLogP-3
Topological Polar Surface Area70.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity392
SMILES
CN1CCN(CC1)C(=O)C2[C@@H]3CC[C@H](C2C(=O)O)O3
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
InChIKey
JUQMLSGOTNKJKI-IZUQBHJASA-N
Chemical Structure
2D Structure
2D structure of 3-((4-Methylpiperazin-1-yl)carbonyl)-7-oxabicyclo(2.2.1)heptane-2-carboxylic acid
CAS: 1632032-53-1
CID: 45101433
Formula: C13H20N2O4
MW: 268.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight268.31
XLogP3-3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass268.14230712
Monoisotopic Mass268.14230712
Topological Polar Surface Area70.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity392
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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