Lerociclib dihydrochloride - ≥99% , CAS No.2097938-59-3

CAS: 2097938-59-3 Cat. No.: L650034 Molecular Weight: 547.52 PubChem CID: 129896913
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Synonyms
SCHEMBL23711495 | Spiro(cyclohexane-1,9'(6'H)-pyrazino(1',2':1,5)pyrrolo(2,3-d)pyrimidin)-6'-one, 7',8'-dihydro-2'-((5-(4-(1-methylethyl)-1-piperazinyl)-2-pyridinyl)amino)-, hydrochloride (1:2) | 4-[[5-(4-propan-2-ylpiperazin-1-yl)pyridin-2-yl]amino]spiro
Storage
Store at 2-8°C,Desiccated
Shipped In
Wet ice
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Size
Status
Price
Qty
5mg
L650034-5mg
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$240.90
10mg
L650034-10mg
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$390.90
50mg
L650034-50mg
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$1,180.90
100mg
L650034-100mg
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$1,900.90
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Lerociclib dihydrochloride (G1T38 dihydrochloride) is a potent and selective inhibitor of CDK4 / CDK6 , with IC 50 s of 1 nM and 2 nM for CDK4 / CyclinD1 and CDK6 / CyclinD3 , respectively.

In Vitro

Within the CDK family, Lerocyclib is least selective against CDK9/cyclin T, ~30 fold between CDK4/cyclin D1 and CDK9/ cyclin T at the biochemical IC 50 . Lerociclib produces a robust and sustained G1 arrest in CDK4/6 dependent cells with an EC 50 of ~20 nM. A dose dependent increase of cells in the G1 phase of the cell cycle is observed when CDK4/6 dependent WM2664 cells are treated with G1T38 for 24 hours. This arrest is maintained through 300 nM, more than 300x the biochemical IC 50 . WM2664 cells treated with 30-1000 nM of Lerociclib for 24 hours exhibits a complete inhibition of RB phosphorylation compared to vehicle controls. Treatment with G1T38 reduces RB phosphorylation within 1 hour post-treatment and generates near complete inhibition of RB phosphorylation by 16 hours post-treatment. G1T38 produces a robust inhibition of proliferation in a diverse array of tumor cell lines including breast, melanoma, leukemia and lymphoma with EC 50 concentrations as low as 23 nM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

In this HER2 + breast cancer model, Mice treated with Lerociclib elicits 8% tumor regression after 21 days of treatment while control animals have a 577% increase in tumor burden over the same treatment period. Compared to the vehicle-treated mice, daily treatment with 100 mg/kg of Lerociclib or palbociclib shows tumor regression within 10 days in the MCF7 xenograft model. After 27 days of treatment, tumor growth inhibition is observed in the 10, 50, and 100 mg/kg Lerociclib cohorts (approximately 12%, 74%, and 90% inhibition, respectively). Daily oral palbociclib treatment causes an 18%, 66%, and 87% tumor growth inhibition in the 10, 50, and 100 mg/kg dosage cohorts, respectively. Interestingly, at 50 mg/kg, Lerociclib is significantly more efficaciou than palbociclib. Similar results are seen in the ER + ZR-75-1 breast cancer xenograft model when comparing Lerocyclib and palbociclib at the 50 mg/kg dose. Lerociclib treated mice exhibits 77% TGI with an overall 60% tumor growth delay demonstrating Lerociclib alone is highly efficacious in this NSCLC tumor model . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:Cdk4/cyclin D1 1 nM (IC 50 ) cdk6/cyclin D3 2 nM (IC 50 ) CDK9/Cyclin T 28 nM (IC 50 ) CDK5/p35 832 nM (IC 50 ) Cdk5/p25 1.2 μM (IC 50 ) cdk2/cyclin A 1.5 μM (IC 50 ) CDK2/cyclinE 3.6 μM (IC 50 ) CDK1/cyclinB1 2.4 μM (IC 50 ) CDK7/Cyclin H/MAT1 2.4 μM (IC 50 )

Specifications

Synonyms
SCHEMBL23711495 | Spiro(cyclohexane-1, 9'(6'H)-pyrazino(1', 2':1, 5)pyrrolo(2, 3-d)pyrimidin)-6'-one, 7', 8'-dihydro-2'-((5-(4-(1-methylethyl)-1-piperazinyl)-2-pyridinyl)amino)-, hydrochloride (1:2) | 4-[[5-(4-propan-2-ylpiperazin-1-yl)pyridin-2-yl]amino]spiro
Specifications & Purity
≥99%
Biochemical and Physiological Mechanisms
Lerociclib dihydrochloride (G1T38 dihydrochloride) is a potent and selective inhibitor of CDK4 / CDK6 , with IC 50 s of 1 nM and 2 nM for CDK4 / CyclinD1 and CDK6 / CyclinD3 , respectively.
Storage
Store at 2-8°C, Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
INHIBITOR
Purity
≥99%
Names and Identifiers
Canonical SmilesCC(C)N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C=C5C(=O)NCC6(N5C4=N3)CCCCC6.Cl.Cl
IUPAC Name4-[[5-(4-propan-2-ylpiperazin-1-yl)pyridin-2-yl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one;dihydrochloride
InChIKeyIUIVDLVJNPANBY-UHFFFAOYSA-N
INCHI1S/C26H34N8O.2ClH/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);2*1H
Isomeric SMILES CC(C)N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C=C5C(=O)NCC6(N5C4=N3)CCCCC6.Cl.Cl
Alternate CAS 2097938-59-3
PubChem CID 129896913
Molecular Weight 547.52

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilityH2O : 4 mg/mL (7.31 mM; Need ultrasonic)
Molecular Weight547.500 g/mol
XLogP3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass546.239 Da
Monoisotopic Mass546.239 Da
Topological Polar Surface Area91.200 Ų
Heavy Atom Count37
Formal Charge0
Complexity750.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count3
Solution Calculators
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