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Lerociclib

CAT: 0804-HY-112272-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-112272-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Lerociclib (G1T38) is a potent and selective inhibitor of CDK4/6, with IC50s of 1 nM, 2 nM for CDK4/CyclinD1 and CDK6/CyclinD3, respectively.
CAS Number
1628256-23-4
Product Name Alternative
G1T38
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
CDK
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/G1T38.html
Purity
98.35
Solubility
10 mM in DMSO
Smiles
O=C1NCC2(N3C1=CC4=CN=C(NC5=NC=C(N6CCN(C(C)C)CC6)C=C5)N=C43)CCCCC2
Molecular Formula
C26H34N8O
Molecular Weight
474.60
Precautions
H302, H315, H319, H335
References & Citations
[1]Bisi JE, et al. Preclinical development of G1T38: A novel, potent and selective inhibitor of cyclin dependent kinases 4/6 for use as an oral antineoplastic in patients with CDK4/6 sensitive tumors. Oncotarget. 2017 Jun 27;8 (26) :42343-42358.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 3
Isoform
CDK1; CDK2; CDK4; CDK5; CDK6; CDK7; CDK9

Chemical Information

Lerociclib

Lerociclib is under investigation in clinical trial NCT02983071 (G1T38, a CDK 4/6 Inhibitor, in Combination With Fulvestrant in Hormone Receptor-positive, Her2-negative Locally Advanced or Metastatic Breast Cancer).

CAS Number1628256-23-4
PubChem CID86269224
IUPAC Name4-[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one
Molecular FormulaC26H34N8O
Molecular Weight474.6
XLogP3.4
Topological Polar Surface Area91.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count35
Formal Charge0
Complexity750
SMILES
CC(C)N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C=C5C(=O)NCC6(N5C4=N3)CCCCC6
InChI
InChI=1S/C26H34N8O/c1-18(2)32-10-12-33(13-11-32)20-6-7-22(27-16-20)30-25-28-15-19-14-21-24(35)29-17-26(8-4-3-5-9-26)34(21)23(19)31-25/h6-7,14-16,18H,3-5,8-13,17H2,1-2H3,(H,29,35)(H,27,28,30,31)
InChIKey
YPJRHEKCFKOVRT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lerociclib
CAS: 1628256-23-4
CID: 86269224
Formula: C26H34N8O
MW: 474.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight474.6
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass474.28555774
Monoisotopic Mass474.28555774
Topological Polar Surface Area91.2 Ų
Heavy Atom Count35
Formal Charge0
Complexity750
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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A18320-50Lerociclib (G1T38) 50mg
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