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DDO-8958

CAT: 0931-T205605-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T205605-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3017180-18-3
Target
Epigenetic Reader Domain, Apoptosis
Related Pathways
Apoptosis, Chromatin/Epigenetic
Bioactivity
DDO-8958 is an orally active and selective BET BD1 inhibitor, exhibiting a KD of 5.6 nM for BRD4 BD1. It shows low nanomolar inhibitory activity across all BET BD1 bromodomains except for BRDT BD1. DDO-8958 inhibits tumor cell proliferation and migration, induces apoptosis and cell cycle arrest, and demonstrates antitumor activity.
Smiles
FC=1C(=CC(OCC2COC2)=CC1C=3C(=NN(C3C)C)C)C4=CC=NC=5N=CNC54
Molecular Formula
C22H22FN5O2
Molecular Weight
407.441
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

7-[2-fluoro-5-(oxetan-3-ylmethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine
CAS Number3017180-18-3
PubChem CID170556416
IUPAC Name7-[2-fluoro-5-(oxetan-3-ylmethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine
Molecular FormulaC22H22FN5O2
Molecular Weight407.4
XLogP3.1
Topological Polar Surface Area77.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity596
SMILES
CC1=C(C(=NN1C)C)C2=CC(=CC(=C2F)C3=C4C(=NC=C3)N=CN4)OCC5COC5
InChI
InChI=1S/C22H22FN5O2/c1-12-19(13(2)28(3)27-12)18-7-15(30-10-14-8-29-9-14)6-17(20(18)23)16-4-5-24-22-21(16)25-11-26-22/h4-7,11,14H,8-10H2,1-3H3,(H,24,25,26)
InChIKey
JUMXBRHFDXULAH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-[2-fluoro-5-(oxetan-3-ylmethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine
CAS: 3017180-18-3
CID: 170556416
Formula: C22H22FN5O2
MW: 407.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight407.4
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass407.17575312
Monoisotopic Mass407.17575312
Topological Polar Surface Area77.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity596
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

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HY-172210DDO-8958
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588344DDO (DASOX, DDO-1, DDO-2, FLJ45203, aspartic oxidase)
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