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LGB321 monohydrochloride

CAT: 0931-T208966-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T208966-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1469925-36-7
Target
MTOR, Pim
Related Pathways
JAK/STAT signaling, Chromatin/Epigenetic, PI3K/Akt/mTOR signaling
Bioactivity
LGB321 monohydrochloride is an effective, selective, and orally active ATP-competitive small molecule inhibitor that targets all three PIM kinases. It inhibits proliferation, the mTOR-C1 signaling pathway, and BAD phosphorylation in various blood cancer-derived cell lines. LGB321 monohydrochloride is suitable for research on hematological malignancies.
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.Cl
Molecular Formula
C23H23ClF3N5O2
Molecular Weight
493.91
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

LGB-321 HCl
CAS Number1469925-36-7
PubChem CID155886544
IUPAC NameN-[4-(3-amino-4-hydroxy-5-methylpiperidin-1-yl)-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide;hydrochloride
Molecular FormulaC23H23ClF3N5O2
Molecular Weight493.9
Topological Polar Surface Area104
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity666
SMILES
CC1CN(CC(C1O)N)C2=C(C=NC=C2)NC(=O)C3=NC(=C(C=C3)F)C4=C(C=CC=C4F)F.Cl
InChI
InChI=1S/C23H22F3N5O2.ClH/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);1H
InChIKey
AYJXIKQJCYKKTJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of LGB-321 HCl
CAS: 1469925-36-7
CID: 155886544
Formula: C23H23ClF3N5O2
MW: 493.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight493.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass493.1492372
Monoisotopic Mass493.1492372
Topological Polar Surface Area104 Ų
Heavy Atom Count34
Formal Charge0
Complexity666
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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