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Fig. 1 · Structure
Cat. No.
A10163
CAS No.
1092443-52-1
Formula
C22H32N6
Mol. Weight
380.53

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BS-181

CDK inhibitor

BS-181 is a potential anti-tumor agent as CDK7 inhibitor.

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Biological Activity

Bioactivity / Mechanism

BS-181 inhibited recombinant CDK7/cyclin H/MAT1 with an IC50 of 0.021 μM (SD 0.002 μM; three experiments). The same panel reported a CDK2/cyclin E IC50 of 0.88 μM (SD 0.08 μM), supporting preferential rather than exclusive CDK7 inhibition. These are biochemical assay endpoints. [1]

Literature-reported observations and conditions; not Adooq-tested protocols or general treatment recommendations.

Target & Activity

Target Activity Value
CDK7/CycH/MAT1 IC50 0.021 μM
CDK2/Cyc E IC50 0.88 μM
CDK5/p35NCK IC50 3 μM
CDK9/cycT IC50 4.2 μM
CDK1/cycB IC50 8.1 μM
CDK4/Cyc D1 IC50 33 μM
CDK6/cycD1 IC50 47 μM

7 targets · Scroll to view more

Cellular Effect

Cell Line Activity Value Description Reference
BT-549 IC50 12.82 μM Growth inhibition of human BT-549 cells assessed as cell viability measured after 4 days by WST8 assay [PMID: 34538051]
MDA-MB-231 IC50 18.47 μM Growth inhibition of human MDA-MB-231 cells assessed as cell viability measured after 4 days by WST8 assay [PMID: 34538051]
MDA-MB-468 IC50 16.3 μM Growth inhibition of human MDA-MB-468 cells assessed as cell viability measured after 4 days by WST8 assay [PMID: 34538051]
Sf9 IC50 1.8 μM Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP [PMID: 26851505]
Sf9 IC50 14 μM Inhibition of CDK1/Cyclin B (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP [PMID: 26741853]

In Vitro Studies

After 72 hours, BS-181 inhibited MCF-7 growth in an SRB assay with an IC50 of 20 μM (SD 0.5 μM). MCF-10A and HMEC were also inhibited, with IC50 values of 15 μM (SD 1.8 μM) and 17.3 μM (SD 2.3 μM), respectively. The table reports at least three replicates; these results do not establish tumor-selective growth inhibition. [1]

Recombinant CDK inhibition panel

Biochemical assay · Purified recombinant CDK complexes, including CDK7/cyclin H/MAT1 and CDK2/cyclin E [1]

The panel favored CDK7 over the other tested CDKs; measurable CDK2 inhibition limits a claim of exclusive CDK7 specificity.

Measured endpoints — not treatment concentrations
EndpointReported resultReference
CDK7/cyclin H/MAT1 activityIC50 0.021 (0.002) μM; mean (SD), three experiments[1]
CDK2/cyclin E activityIC50 0.88 (0.08) μM; mean (SD), three experiments[1]

Literature-Reported Treatment Conditions

Method
Increasing inhibitor concentrations; roscovitine comparator
Reported limits
Reaction duration, ATP concentration, and complete assay control setup are not specified in the acquired main methods; underlying supplementary curves were not retrieved.
Methods and source locations

Compound reported in the paper: BS-181; Compound label in the paper: BS-181; isolated salt unspecified

Applies to the paper-tested material and model. No Adooq lot validation or salt conversion.

Table 1 and footnote; In vitro Kinase Assays; Synthesis of BS-181 and in vitro kinase inhibition

CDK7/cyclin H/MAT1 activity: PKLight luciferase assay of ATP remaining — Table 1, CDK7 row and footnote

CDK2/cyclin E activity: PKLight luciferase assay of ATP remaining — Table 1, CDK2 row and footnote

Cell-growth inhibition with mammary comparator lines

Cell-based study · Human cell-line panel; selected rows: MCF-7, MCF-10A and HMEC [1]

The 72-hour SRB endpoint showed micromolar growth inhibition in MCF-7 and in the mammary comparator lines MCF-10A and HMEC. These data do not establish a tumor-selective window.

Measured endpoints — not treatment concentrations
EndpointReported resultReference
MCF-7 growthIC50 20 (0.5) μM; mean (SD), at least three replicates[1]
MCF-10A growthIC50 15 (1.8) μM; mean (SD), at least three replicates[1]
HMEC growthIC50 17.3 (2.3) μM; mean (SD), at least three replicates[1]

Literature-Reported Treatment Conditions

Exposure duration
72 hours
Method
Increasing concentrations; SRB growth assay with roscovitine comparator
Reported limits
Table 2 says at least three replicates without defining biological versus technical replication. Exact concentration series and vehicle for this assay are not specified in the reviewed table/main growth methods.
Methods and source locations

Compound reported in the paper: BS-181; Compound label in the paper: BS-181; isolated salt unspecified

Applies to the paper-tested material and model. No Adooq lot validation or salt conversion.

Table 2 and footnote; Cell Growth Assays; BS-181 Promotes Cell Cycle Arrest and Inhibits Cancer Cell Growth

MCF-7 growth: Sulforhodamine B assay — Table 2, MCF-7 row and footnote

MCF-10A growth: Sulforhodamine B assay — Table 2, MCF-10A row and footnote

HMEC growth: Sulforhodamine B assay — Table 2, HMEC row and footnote

In Vivo Studies

In randomized MCF-7 xenograft-bearing nude mice, BS-181 given intraperitoneally twice daily for 14 days reduced tumor growth by a reported 25% and 50% versus vehicle at total daily doses of 10 and 20 mg/kg, respectively. No significant adverse body-weight effect was reported. This limited tolerability measure does not establish general safety. [1]

MCF-7 xenograft growth and body weight

Animal study · Randomized, estrogen-supported MCF-7 xenografts in 7-week-old female nu/nu-BALB/c athymic nude mice [1]

Both daily-dose groups reduced tumor growth compared with vehicle over 14 days. Lack of a significant body-weight effect is not evidence of comprehensive safety.

Conditions shared by the study groups

Route
Intraperitoneal
Frequency
Twice daily
Treatment course
14 days
Vehicle
10% DMSO/50 mM HCl/5% Tween 20/85% saline (as reported)
Study groups and reported outcomes
Group / doseComparatorObserved resultReference
10 mg/kg/day
5 mg/kg per injection; 10 mg/kg/day total		Vehicle-treated mice; n=11 in Fig. 425% reduction in tumor growth versus vehicle, as reported in Results; no significant adverse effect on body weight reported.[1]
20 mg/kg/day
10 mg/kg per injection; 20 mg/kg/day total		Vehicle-treated mice; n=11 in Fig. 450% reduction in tumor growth versus vehicle, as reported in Results; no significant adverse effect on body weight reported.[1]
10 mg/kg/day
Model: Female nu/nu-BALB/c mice bearing estrogen-supported MCF-7 xenografts; n=10 in Fig. 4
Reported limits: Allocation concealment and blinding are not described in the acquired main xenograft methods. Body weight is a limited tolerability endpoint.
20 mg/kg/day
Model: Female nu/nu-BALB/c mice bearing estrogen-supported MCF-7 xenografts; n=13 in Fig. 4
Reported limits: Allocation concealment and blinding are not described in the acquired main xenograft methods. Body weight is a limited tolerability endpoint.
Methods and source locations

Compound reported in the paper: BS-181; Compound label in the paper: BS-181; administered in acidic vehicle, isolated salt unspecified

Applies to the paper-tested material and model. No Adooq lot validation or salt conversion.

Human tumor xenografts methods; in-vivo results; Fig. 4A–B

10 mg/kg/day · Human tumor xenografts methods; in-vivo results; Fig. 4A–B and caption

20 mg/kg/day · Human tumor xenografts methods; in-vivo results; Fig. 4A–B and caption

Specifications

Manufacturer Adooq Bioscience
Actions Inhibitor
CAS Number 1092443-52-1
Applications CDK inhibitor
Formula C22H32N6
Molecular Weight 380.53
SMILES
CC(C)C1=C2N=C(C=C(N2N=C1)NCC3=CC=CC=C3)NCCCCCCN

Storage & Solubility

In Vitro Solubility

Reported Solubility

No reported solubility data are available for this product.

Preparing Stock Solutions

Stock preparation is unavailable for this product molecular weight.

Calculated stock concentrations do not establish solvent solubility. Refer to the reported solubility data for experimental guidance.

Storage

Store powder at -20°C, keep desiccated.
In powder form, the chemical is stable for 36 months.
In solution, store at -20°C and use within 1 month to prevent loss of potency. Aliquot to avoid multiple freeze/thaw cycles.

Research References

  1. [1] Ali S, Heathcote DA, Kroll SH, et al. The development of a selective cyclin-dependent kinase inhibitor that shows antitumor activity. Cancer research (2009). PMID: 19638587 DOI: 10.1158/0008-5472.can-09-0301 Source material

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