| Field | Specification |
|---|---|
| Target | |
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C44H44N10O5S |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
BD-9136 is a selective PROTAC degrader of BRD4, with a DC50 of 1.2 nM and at least 1000-fold selectivity over BRD2 and BRD3. It preferentially assembles a ternary complex with the BD1 domain of BRD4 and lowers B7-H4 expression by disrupting the PR-P300-BRD4 axis. In tumor tissue, the compound depletes BRD4 protein, slows tumor growth, reduces B7-H4 protein levels, increases CD8+ T cell infiltration, and heightens tumor sensitivity to anti-PD-L1. BRD4 degradation by BD-9136 also reverses the erythroid differentiation block caused by LSD1 inhibition, and brief treatment restores erythroid output while preserving HbF induction, with no adverse effects observed in mice at effective doses, and it can be used in studies of acute myeloid leukemia, acute lymphoblastic leukemia, and breast cancer research[1][2][3]. It is supplied as a light yellow to yellow solid (C44H44N10O5S, MW 824.95) at 98.81% purity.
Physical & Chemical Properties
| CAS Number | 3037514-38-5 |
|---|---|
| Molecular Formula | C44H44N10O5S |
| Molecular Weight | 824.95 g/mol |
| Purity | 98.81% |
| Appearance | Solid |
| Color | Light yellow to yellow |
| SMILES | CC1=NN=C2COCC(C(CC3=CC=CC=C3)=C(S4)C#CC5=CN(N=C5)C6(CCN7CCN(CC7)C)CN(C8=C(C9=CC=C8)C(N(C9=O)C%10CCC(NC%10=O)=O)=O)C6)=C4N21 |
| Target | BRD4 (BD1), B7-H4 |
| Signaling Pathway | PROTAC; Epigenetics |
| Solubility | In Vitro: DMSO: 100 mg/mL (121.22 mM; Requires sonication; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO) |
| Storage | -20°C, protect from light, stored under nitrogen. In solvent: -80°C, 6 months; -20°C, 1 month (protect from light, stored under nitrogen). |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Biological Activity
Activity & Target
[2][3]
|
BRD4 (BD1) 1.2 nM (DC50) |
Literature Cited
Sources cited in this description and in the In Vitro & In Vivo Data tab. Peer-reviewed publications that used this product are listed under References.
Safety
For Research Use Only. Not for use in diagnostic or therapeutic procedures, and not for human or veterinary use. Handle in accordance with the Safety Data Sheet and your institution's chemical hygiene plan.
In Vitro
| Solvent | Solubility | Notes |
|---|---|---|
| DMSO | 100 mg/mL (121.22 mM) | requires sonication; use freshly opened DMSO (absorbed moisture lowers solubility) |
Aliquot the stock solution and store it at -80°C (up to 6 months) or -20°C (up to 1 month); protect from light, stored under nitrogen; avoid repeated freeze-thaw cycles.
Data provided by the manufacturer.
In Vitro
In the human leukemia cell lines MV4;11, MOLM13, HL60 and RS4;11, BD-9136 (0.1-1000 nM; 4 h) degrades BRD4 efficiently and selectively, with ≥1000-fold selectivity over BRD2 and BRD3 and DC50 values for BRD4 from 0.5 to 4.7 nM[1]. In the human breast cancer cell lines MDA-MB-231, MDA-MB-453, MCF-7 and T47D, BD-9136 (0.1-1000 nM; 4 h) likewise degrades BRD4 efficiently and selectively, with ≥1000-fold selectivity over BRD2 and BRD3 and DC50 values for BRD4 from <0.1 to 0.6 nM[1]. BD-9136 (for 4 days) potently inhibits growth of MV4;11, MOLM13, HL60, RS4;11, MDA-MB-231, MDA-MB-453, MCF-7 and T47D human cancer cell lines, giving IC50 values from 3.8 to 80.9 nM[1]. BD-9136 (30 nM; 3 h) selectively degrades only BRD4 among over 5700 proteins profiled in human MV4;11 and MDA-MB-231 cancer cells[1]. BD-9136 forms a ternary complex more readily with recombinant human BRD4 BD1 than with recombinant human BRD2 BD1/BD2, BRD3 BD1/BD2 and BRD4 BD2 domain proteins[1]. In human CD34+ HSPCs, BD-9136 (3-10 nM; 7-18 days) reverses the erythroid differentiation arrest induced by CCG-385349 in a dose-dependent manner by degrading BRD4 (DC50 = 1.2 nM) and attenuating RUNX1/PU.1 induction; by contrast, transient administration preserves CCG-385349-mediated fetal hemoglobin induction and restores mature erythrocyte production[2]. In human T-47D breast cancer cells, BD-9136 (100-1000 nM; 48 h) downregulates B7-H4 expression in a dose-dependent manner[3].
Western Blot Analysis[1]
| Cell Line | MV4;11, MOLM13, HL60, RS4;11 |
|---|---|
| Concentration | 0, 0.1, 0.3, 1, 3,10, 30, 100, 300, 1000 nM |
| Incubation Time | 4 h |
| Result | Induced BRD4 degradation with DC50 values of 4.7 nM (MV4;11, D_max = 96%), 1.5 nM (MOLM13, D_max = 90%), 0.5 nM (HL60, D_max = 99%), and 0.7 nM (RS4;11, D_max = 99%). Had no significant effect on BRD2 or BRD3 levels at concentrations up to 1000 nM, with DC50 values >1000 nM and D_max values ≤18% for both proteins across all cell lines. |
Western Blot Analysis[1]
| Cell Line | MDA-MB-231, MDA-MB-453, MCF-7, T47D |
|---|---|
| Concentration | 0, 0.1, 0.3, 1, 3,10, 30, 100, 300, 1000 nM |
| Incubation Time | 4 h |
| Result | Induced BRD4 degradation with DC50 values of 0.5 nM (MDA-MB-231, D_max = 95%), 0.6 nM (MDA-MB-453, D_max = 99%), <0.1 nM (MCF-7, D_max = 99%), and 0.2 nM (T47D, D_max = 99%). Had no significant effect on BRD2 or BRD3 levels at concentrations up to 1000 nM, with DC50 values >1000 nM and D_max values ≤25% for both proteins across all cell lines. |
Western Blot Analysis[3]
| Cell Line | T-47D |
|---|---|
| Concentration | 0, 100, 200, 1000 |
| Incubation Time | 48 h |
| Result | Effectively reduced B7-H4 expression in a dose-dependent meffectively reduced B7-H4 expression in a dose-dependent manneranner |
In Vivo
Dosed i.p. at 20 mg/kg once daily, 5 days per week for 4 consecutive weeks, BD-9136 produces sustained, selective depletion of BRD4 protein and suppresses tumor growth in SCID mouse MV4;11 and MDA-MB-231 xenograft tumor models, respectively, without toxic effects[1]. A single i.p. administration (20 mg/kg) in SCID mice bearing MV4;11 or MDA-MB-231 xenografts keeps BRD4 protein depleted for at least 48 hours, while BRD2 and BRD3 proteins are not significantly affected[1]. As a single agent (20 mg/kg; i.p.; three times per week), BD-9136 has a moderate inhibitory effect on B7-H4+ breast cancer growth in syngeneic mice; with anti-PD-L1, it strengthens tumor growth inhibition and promotes anti-tumor CD8+ T cell responses[3].
| Animal Model | SCID mice (8-12 weeks, female) were subcutaneously implanted with 5 × 106 MV4;11 cells in 50% Matrigel/PBS. Treatment was initiated when tumors reached 80-200 mm3[1] |
|---|---|
| Dosage | 20 mg/kg |
| Administration | i.p.; single dose; daily for 5 days per week for 4 weeks; weekly |
| Result | Reduced BRD4 protein levels in tumor tissue by 80% at 6 h, 87% at 24 h, and 70% at 48 h compared to vehicle control, with no significant effect on BRD3 protein levels and only a modest increase in BRD2 protein at 3 h. Achieved 92% tumor growth inhibition with 20 mg/kg daily 5-day-per-week schedule. Achieved 56% tumor growth inhibition with 20 mg/kg weekly schedule. Caused no significant weight loss or toxicity with either dosing schedule. |
| Animal Model | SCID mice (8-12 weeks, female) were subcutaneously implanted with 5 × 106 MDA-MB-231 cells in 50% Matrigel/PBS. Treatment was initiated when tumors reached 80-200 mm3.[1] |
|---|---|
| Dosage | 20 mg/kg |
| Administration | i.p.; single dose; daily for 5 days per week; weekly |
| Result | Profoundly reduced BRD4 protein levels in tumor tissues as early as 3 h, with the effect persisting for at least 48 h; no significant effect on BRD3 protein levels was observed, while BRD2 protein levels were modestly increased at all tested time points. Achieved 87% tumor growth inhibition with 20 mg/kg daily 5-day-per-week schedule. Caused no significant weight loss or toxicity with either dosing schedule. |
| Animal Model | WT mice (age-matched) were subcutaneously inoculated with B7-H4⁺ tumor cells (1×10⁷ cells) isolated from primary mammary tumors induced by MPA plus DMBA to establish a syngeneic transplant tumor model. Tumor-bearing mice were treated starting from day 3 post-inoculation.[3] |
|---|---|
| Dosage | 20 mg/kg |
| Administration | i.p.; 3 times per week |
| Result | Reduced B7-H4 protein expression in tumor tissues. Moderately inhibited tumor growth. When combined with anti-PD-L1, further enhanced tumor growth inhibition. Increased the percentage of CD8+ T cells among CD45+ cells in tumor tissues. Increased the frequency of polyfunctional IFN-γ+TNF-α+ CD8+ T cells in the tumor microenvironment and tumor-draining lymph nodes. |
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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