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Lerociclib

CAT: 0931-T11345-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T11345-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1628256-23-4
Target
CDK
Related Pathways
Cell Cycle/Checkpoint
Purity
0.99
Bioactivity
Lerociclib (G1T38) is a selective and highly potent CDK4/6 inhibitor with anticancer and antitumor activity, inhibits CDK4/CyclinD1 and CDK6/CyclinD3, and inhibits tumor growth in an animal model of endocrine-resistant breast cancer. Due to the poor solubility, for animal studies, the salt form T11345L is recommended.
Smiles
O=C1NCC2(N3C=4N=C(N=CC4C=C13)NC5=NC=C(C=C5)N6CCN(CC6)C(C)C)CCCCC2
Molecular Formula
C26H34N8O
Molecular Weight
474.6
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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

Alternative Products

CatalogName
HY-112272-01Lerociclib
XID93859-01Lerociclib dihydrochloride
HY-112272A-01Lerociclib (dihydrochloride)
MBS3842786-01Lerociclib (G1T38)
A18320-10Lerociclib (G1T38) 10mg
A21577-100Lerociclib dihydrochloride 100mg
A21577-10Lerociclib dihydrochloride 10mg
A21577-1Lerociclib dihydrochloride 1mg
A18320-100Lerociclib (G1T38) 100mg
A18320-50Lerociclib (G1T38) 50mg

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