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AZD5153

CAT: 0931-T3504L-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T3504L-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1869912-39-9
Target
Apoptosis, Epigenetic Reader Domain, Others
Related Pathways
Others, Chromatin/Epigenetic, Apoptosis
Purity
0.9925
Bioactivity
AZD5153 is a reversible inhibitor of BRD4, a bromodomain and extra-terminal family protein, with antitumor activity.AZD5153 inhibits hepatocarcinogenesis by altering the BRD4 chromosome landscape and regulating the transcriptome of HCC cells.AZD5153 is used in the study of lymphomas and solid tumors.
Smiles
COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCN2CCN(C)C(=O)[C@H]2C)cc1
Molecular Formula
C25H33N7O3
Molecular Weight
479.57
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Azd-5153

AZD5153 is a member of the class of triazolopyridazines that is [1,2,4]triazolo[4,3-b]pyridazine substituted by methoxy and 4-(4-{2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy}phenyl)piperidin-1-yl groups at positions 3 and 6, respectively. It is an orally bioavailable bivalent inhibitor of bromodomain-containing protein 4 with potential antineoplastic activity. It has a role as a bromodomain-containing protein 4 inhibitor, an antineoplastic agent and an apoptosis inducer. It is a member of piperidines, an aromatic ether, a piperazinone, a N-methylpiperazine and a triazolopyridazine.

CAS Number1869912-39-9
PubChem CID118693659
IUPAC Name(3R)-4-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethylpiperazin-2-one
Molecular FormulaC25H33N7O3
Molecular Weight479.6
XLogP2.4
Topological Polar Surface Area88.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity699
SMILES
C[C@@H]1C(=O)N(CCN1CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5OC)C=C4)C
InChI
InChI=1S/C25H33N7O3/c1-18-24(33)29(2)14-15-30(18)16-17-35-21-6-4-19(5-7-21)20-10-12-31(13-11-20)23-9-8-22-26-27-25(34-3)32(22)28-23/h4-9,18,20H,10-17H2,1-3H3/t18-/m1/s1
InChIKey
RSMYFSPOTCDHHJ-GOSISDBHSA-N
Chemical Structure
2D Structure
2D structure of Azd-5153
CAS: 1869912-39-9
CID: 118693659
Formula: C25H33N7O3
MW: 479.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight479.6
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass479.26448794
Monoisotopic Mass479.26448794
Topological Polar Surface Area88.3 Ų
Heavy Atom Count35
Formal Charge0
Complexity699
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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