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DBRD9 HCl

CAT: 0013-GTR19194811-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19194811-02Size:5 mg
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Description
DBRD9 HCl is a PROTAC molecule that selectively degrades BRD9 with an IC50 of 56.6 nM in MOLM-13 cells, showing anti-proliferative activity in AML models. It is derived from the BRD9 ligand BI-7273 and the E3 ligase recruiter pomalidomide and exhibits high selectivity over BRD4 and BRD7.
CAS Number
2341840-98-8
Product Name Alternative
Epigenetic Reader Domain, EpigeneticReaderDomain, dBRD9 HCl, dBRD9 HCl (2170679-45-3 Free base), BRD9
Field of Research
Epigenetics & Chromatin, Pharmacology & Drug Discovery
Purity
99.57% (May vary between batches)
Solubility
H2O:15.4 mg/mL (17.97 mM) ; DMSO:38.5 mg/mL (44.94 mM)
Smiles
O=C1C2=C (C (C3=CC (OC) =C (CN (CC (NCCOCCOCCNC4=CC=CC (C (N5C6C (NC (CC6) =O) =O) =O) =C4C5=O) =O) C) C (OC) =C3) =CN1C) C=CN=C2.Cl.Cl
Molecular Formula
C40H47Cl2N7O10
Molecular Weight
856.75
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

dBRD9 HCl
CAS Number2341840-98-8
PubChem CID138991768
IUPAC Name2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]acetamide;dihydrochloride
Molecular FormulaC40H47Cl2N7O10
Molecular Weight856.7
Topological Polar Surface Area198
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count18
Heavy Atom Count59
Formal Charge0
Complexity1500
SMILES
CN1C=C(C2=C(C1=O)C=NC=C2)C3=CC(=C(C(=C3)OC)CN(C)CC(=O)NCCOCCOCCNC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O)OC.Cl.Cl
InChI
InChI=1S/C40H45N7O10.2ClH/c1-45(21-29-32(54-3)18-24(19-33(29)55-4)28-22-46(2)38(51)27-20-41-11-10-25(27)28)23-35(49)43-13-15-57-17-16-56-14-12-42-30-7-5-6-26-36(30)40(53)47(39(26)52)31-8-9-34(48)44-37(31)50;;/h5-7,10-11,18-20,22,31,42H,8-9,12-17,21,23H2,1-4H3,(H,43,49)(H,44,48,50);2*1H
InChIKey
CSEVDQHYSARWTE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of dBRD9 HCl
CAS: 2341840-98-8
CID: 138991768
Formula: C40H47Cl2N7O10
MW: 856.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight856.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count18
Exact Mass855.2761461
Monoisotopic Mass855.2761461
Topological Polar Surface Area198 Ų
Heavy Atom Count59
Formal Charge0
Complexity1500
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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