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LB-102

CAT: 0013-GTR19259455Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19259455Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
LB102 demonstrates potent and selective inhibition of PP2A serine/threonine phosphatase activity, with half-maximal inhibitory concentration (IC50) of 400 nM.
CAS Number
1527483-97-1
Purity
>98%
Smiles
C1[C@H]2O[C@H] ([C@@H] ([C@@H]2C (O) =O) C (=O) N2CCN (C (OC (C) (C) C) =O) CC2) C1
Molecular Formula
C17H26N2O6
Molecular Weight
354.398145198822
Notes
For research use only.

Chemical Information

(1R,2S,3R,4S)-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CAS Number1527483-97-1
PubChem CID172966148
IUPAC Name(1R,2S,3R,4S)-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Molecular FormulaC17H26N2O6
Molecular Weight354.4
XLogP0.1
Topological Polar Surface Area96.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity564
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)[C@H]2[C@@H]3CC[C@H]([C@H]2C(=O)O)O3
InChI
InChI=1S/C17H26N2O6/c1-17(2,3)25-16(23)19-8-6-18(7-9-19)14(20)12-10-4-5-11(24-10)13(12)15(21)22/h10-13H,4-9H2,1-3H3,(H,21,22)/t10-,11+,12-,13+/m0/s1
InChIKey
QJMAFHBXQNFFKL-QNWHQSFQSA-N
Chemical Structure
2D Structure
2D structure of (1R,2S,3R,4S)-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CAS: 1527483-97-1
CID: 172966148
Formula: C17H26N2O6
MW: 354.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.4
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass354.17908655
Monoisotopic Mass354.17908655
Topological Polar Surface Area96.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity564
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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