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PIM1-IN-1

CAT: 0804-HY-111552-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-111552-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PIM1-IN-1 is a potent and highly selective PIM1/3 inhibitor, with IC50s of 7, 5530 and 70 nM for PIM1, PIM2, and PIM3, respectively, inhibits the phosphorylation of BAD, a downstream target of PIM, with an EC50 of 262 nM. PIM1-IN-1 shows no obvious effect on FLT3 or hERG binding. Antiproliferative and anti-cancer activity[1].
CAS Number
1417630-95-5
UNSPSC
12352005
Target
Pim
Type
Reference compound
Related Pathways
JAK/STAT Signaling
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/PIM1-IN-1.html
Purity
99.83
Solubility
DMSO : 45 mg/mL (ultrasonic)
Smiles
COCCN1C2=C(C3=NN=C(C4=NC5=C(NCC6CCNCC6)C=CC=C5C=C4)N3N=C2)OCC1
Molecular Formula
C25H30N8O2
Molecular Weight
474.56
References & Citations
[1]Martínez-González S, et al. Discovery of novel triazolo[4,3-b]pyridazin-3-yl-quinoline derivatives as PIM inhibitors. Eur J Med Chem. 2019 Feb 19;168:87-109.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PIM1; PIM2; PIM3

Chemical Information

Pim1-IN-1
CAS Number1417630-95-5
PubChem CID123561371
IUPAC Name2-[10-(2-methoxyethyl)-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl]-N-(piperidin-4-ylmethyl)quinolin-8-amine
Molecular FormulaC25H30N8O2
Molecular Weight474.6
XLogP1.7
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity682
SMILES
COCCN1CCOC2=C1C=NN3C2=NN=C3C4=NC5=C(C=CC=C5NCC6CCNCC6)C=C4
InChI
InChI=1S/C25H30N8O2/c1-34-13-11-32-12-14-35-23-21(32)16-28-33-24(30-31-25(23)33)20-6-5-18-3-2-4-19(22(18)29-20)27-15-17-7-9-26-10-8-17/h2-6,16-17,26-27H,7-15H2,1H3
InChIKey
BKDLGAKRAHVMNP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pim1-IN-1
CAS: 1417630-95-5
CID: 123561371
Formula: C25H30N8O2
MW: 474.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight474.6
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass474.24917223
Monoisotopic Mass474.24917223
Topological Polar Surface Area102 Ų
Heavy Atom Count35
Formal Charge0
Complexity682
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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BA6399-1PIM1-IN-1
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A19392-50PIM1-IN-1 50mg
A19392-25PIM1-IN-1 25mg
A19392-5PIM1-IN-1 5mg
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T206369-01CDK2/PIM1-IN-1
A19392-100PIM1-IN-1 100mg
A19392-10PIM1-IN-1 10mg

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