PROTAC BRD4 ligand-1

 CAS No.: 2313230-51-0  Cat No.: BP-300196  Purity: ≥95% 4.5  

PROTAC BRD4 ligand-1 is a potent BET inhibitor and a ligand for targeting BRD4 protein in PROTACT GNE-987.

PROTAC BRD4 ligand-1

Structure of 2313230-51-0

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Category
Ligand for Target Protein
Molecular Formula
C23H18F2N4O5S
Molecular Weight
500.47
Appearance
Solid

* For research and manufacturing use only. Not for human or clinical use.

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Purity
≥95%
Solubility
DMSO: 5 mg/mL (9.99 mM)
Appearance
Solid
Storage
Store at -20°C
IUPACName
8-(3,5-difluoropyridin-2-yl)-15-methyl-4-(methylsulfonylmethyl)-14-oxo-8,12,15-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2(7),3,5,10,13(17)-hexaene-5-carboxylic acid
Synonyms
7-(3,5-Difluoro-2-pyridinyl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carboxylic acid; 2H-2,4,7-Triazadibenz[cd,f]azulene-9-carboxylic acid, 7-(3,5-difluoro-2-pyridinyl)-3,4,6,7-tetrahydro-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-
Boiling Point
874.1±65.0°C (Predicted)
Density
1.68±0.1 g/cm3 (Predicted)
InChI Key
BSYGSSMAXOMCQE-UHFFFAOYSA-N
InChI
InChI=1S/C23H18F2N4O5S/c1-28-9-16-15-3-11(10-35(2,33)34)14(23(31)32)5-18(15)29(21-17(25)4-13(24)7-27-21)8-12-6-26-20(19(12)16)22(28)30/h3-7,9,26H,8,10H2,1-2H3,(H,31,32)
Canonical SMILES
CN1C=C2C3=C(C=C(C(=C3)CS(=O)(=O)C)C(=O)O)N(CC4=CNC(=C42)C1=O)C5=C(C=C(C=N5)F)F

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Desired final volume: *
Desired concentration: *

L

* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2

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* Total Molecular Weight:
g/mol
Tip: Chemical formula is case sensitive. C22H30N4O √ c22h30n40 ╳
g/mol
g
Historical Records: PND-1186 (VS-4718) | Thiomyristoyl | PROTAC BRD4 ligand-1

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