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DBRD9

CAT: 0957-E1144-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-E1144-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2341840-98-8
Target
Epigenetic Reader Domain
Applications
Epigenetics
Molecular Formula
C40H45N7O10.2ClH
Additionnal Information
DBRD9 is a bifunctional molecule that links a small molecule that specifically binds to the bromodomain of BRD9 and another ligand that recruits the cereblon E3 ubiquitin ligase, potently and selectively degrades BRD9 with IC50 of 104 nM in MOLM-13 cells.
Storage Conditions
3 years -20°C powder

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

Alternative Products

CatalogName
T31221-01DBRD9
462435dBRD9-A
T31221L-01DBRD9 HCl
HY-117690ADBRD9 (dihydrochloride)

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