BD-9136

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MedKoo CAT#: 123919

CAS#: N/A

Description: BD-9136 is a potent and highly selective BRD4 degrader, BD-9136 induce rapid degradation of BRD4 protein in cells at concentrations as low as 1 nM and demonstrate ≥1000-fold degradation selectivity over BRD2 or BRD3 protein. Proteomic analysis of >5700 proteins confirmed their highly selective BRD4 degradation. A single dose of BD-9136 selectively and effectively depletes BRD4 protein in tumor tissues for >48 h. BD-9136 effectively inhibits tumor growth without adverse effects on mice and is more efficacious than the corresponding pan BET inhibitor. This study suggests selective degradation of BRD4 as a strategy for the treatment of human cancers and demonstrates a strategy for the design of highly selective PROTAC degraders.

Chemical Structure

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BD-9136
CAS# N/A
Instruction

Theoretical Analysis

MedKoo Cat#: 123919
Name: BD-9136
CAS#: N/A
Chemical Formula: C44H44N10O5S
Exact Mass: 824.32
Molecular Weight: 824.960
Elemental Analysis: C, 64.06; H, 5.38; N, 16.98; O, 9.70; S, 3.89

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Synonym: BD-9136; BD 9136; BD9136

IUPAC/Chemical Name: 4-(3-(4-((3-benzyl-9-methyl-4H,6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,4]oxazepin-2-yl)ethynyl)-1H-pyrazol-1-yl)-3-(2-(4-methylpiperazin-1-yl)ethyl)azetidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione

InChi Key: WNTMFWJFGDGXOH-UHFFFAOYSA-N

InChi Code: InChI=1S/C44H44N10O5S/c1-28-47-48-37-25-59-24-33-32(21-29-7-4-3-5-8-29)36(60-43(33)53(28)37)13-11-30-22-45-52(23-30)44(15-16-50-19-17-49(2)18-20-50)26-51(27-44)34-10-6-9-31-39(34)42(58)54(41(31)57)35-12-14-38(55)46-40(35)56/h3-10,22-23,35H,12,14-21,24-27H2,1-2H3,(H,46,55,56)

SMILES Code: O=C1CCC(N2C(C3=CC=CC(N4CC(N5C=C(C#CC6=C(CC7=CC=CC=C7)C(COCC8=NN=C(C)N89)=C9S6)C=N5)(CCN%10CCN(C)CC%10)C4)=C3C2=O)=O)C(N1)=O

Appearance: To be determined

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: To be determined

Shelf Life: >2 years if stored properly

Drug Formulation: To be determined

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 824.96 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Hu J, Hu B, Xu F, Wang M, Qin C, McEachern D, Stuckey J, Wang S. Precise
Conformational Control Yielding Highly Potent and Exceptionally Selective BRD4
Degraders with Strong Antitumor Activity. J Med Chem. 2023 Jun 8. doi:
10.1021/acs.jmedchem.3c00520. Epub ahead of print. PMID: 37289649.