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DB2313

CAT: 0957-E1519-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-E1519-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2170606-74-1
Target
Immunology & Inflammation related
Applications
Immunology & Inflammation
Molecular Formula
C42H41FN8O2
Additionnal Information
DB2313 is a potent inhibitor of the transcription factor PU.1, effectively blocking PU.1-dependent reporter gene transactivation with an IC50 of 5 μM. DB2313 demonstrated significant anti-leukemic activity by inducing apoptosis in acute myeloid leukemia (AML) cells. It also increases survival rates and reduces tumor burden in vivo.

Chemical Information

2,2'-((((2-Fluoro-1,3-phenylene)bis(methylene))bis(oxy))bis(4,1-phenylene))bis(N-isopropyl-1H-benzo[d]imidazole-6-carboximidamide)
CAS Number2170606-74-1
PubChem CID138556040
IUPAC Name2-[4-[[2-fluoro-3-[[4-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide
Molecular FormulaC42H41FN8O2
Molecular Weight708.8
XLogP6.9
Topological Polar Surface Area153
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Heavy Atom Count53
Formal Charge0
Complexity1130
SMILES
CC(C)N=C(C1=CC2=C(C=C1)N=C(N2)C3=CC=C(C=C3)OCC4=C(C(=CC=C4)COC5=CC=C(C=C5)C6=NC7=C(N6)C=C(C=C7)C(=NC(C)C)N)F)N
InChI
InChI=1S/C42H41FN8O2/c1-24(2)46-39(44)28-12-18-34-36(20-28)50-41(48-34)26-8-14-32(15-9-26)52-22-30-6-5-7-31(38(30)43)23-53-33-16-10-27(11-17-33)42-49-35-19-13-29(21-37(35)51-42)40(45)47-25(3)4/h5-21,24-25H,22-23H2,1-4H3,(H2,44,46)(H2,45,47)(H,48,50)(H,49,51)
InChIKey
NUVPJXUYFGWDGB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2'-((((2-Fluoro-1,3-phenylene)bis(methylene))bis(oxy))bis(4,1-phenylene))bis(N-isopropyl-1H-benzo[d]imidazole-6-carboximidamide)
CAS: 2170606-74-1
CID: 138556040
Formula: C42H41FN8O2
MW: 708.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight708.8
XLogP36.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Exact Mass708.33365074
Monoisotopic Mass708.33365074
Topological Polar Surface Area153 Ų
Heavy Atom Count53
Formal Charge0
Complexity1130
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA2738-10DB2313
T69842-01DB2313 HCl
HY-124629ADB2313 (tetrahydrochloride)

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