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LGB321

CAT: 0931-T88815-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T88815-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1210417-75-6
Target
MTOR
Related Pathways
PI3K/Akt/mTOR signaling
Bioactivity
LGB321 is an inhibitor targeting PIM2-dependent multiple myeloma cell lines, effectively suppressing proliferation and key signaling pathways (such as mTOR-C1) as well as the phosphorylation of BAD.
Smiles
N(C(=O)C=1N=C(C(F)=CC1)C2=C(F)C=CC=C2F)C=3C(=CC=NC3)N4C[C@H](C)[C@@H](O)[C@H](N)C4
Molecular Formula
C23H22F3N5O2
Molecular Weight
457.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-{4-[(3r,4r,5s)-3-Amino-4-Hydroxy-5-Methylpiperidin-1-Yl]pyridin-3-Yl}-6-(2,6-Difluorophenyl)-5-Fluoropyridine-2-Carboxamide
CAS Number1210417-75-6
PubChem CID46179018
IUPAC NameN-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
Molecular FormulaC23H22F3N5O2
Molecular Weight457.4
XLogP2.1
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity666
SMILES
C[C@H]1CN(C[C@H]([C@@H]1O)N)C2=C(C=NC=C2)NC(=O)C3=NC(=C(C=C3)F)C4=C(C=CC=C4F)F
InChI
InChI=1S/C23H22F3N5O2/c1-12-10-31(11-16(27)22(12)32)19-7-8-28-9-18(19)30-23(33)17-6-5-15(26)21(29-17)20-13(24)3-2-4-14(20)25/h2-9,12,16,22,32H,10-11,27H2,1H3,(H,30,33)/t12-,16+,22+/m0/s1
InChIKey
ODZZYKUYGVLOTQ-ONJZCGHCSA-N
Chemical Structure
2D Structure
2D structure of N-{4-[(3r,4r,5s)-3-Amino-4-Hydroxy-5-Methylpiperidin-1-Yl]pyridin-3-Yl}-6-(2,6-Difluorophenyl)-5-Fluoropyridine-2-Carboxamide
CAS: 1210417-75-6
CID: 46179018
Formula: C23H22F3N5O2
MW: 457.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight457.4
XLogP32.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass457.17255945
Monoisotopic Mass457.17255945
Topological Polar Surface Area104 Ų
Heavy Atom Count33
Formal Charge0
Complexity666
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-15901LGB321
HY-15901ALGB321 (monohydrochloride)
GTR19261587-01LGB321 monohydrochloride

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