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Rel-AZ5576

CAT: 0804-HY-111537Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-111537Size:1 Each
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Rel-AZ5576 is a selective CDK9 inhibitor with the activity of downregulating Mcl-1 and MYC mRNA transcription and protein expression in diffuse large B-cell lymphoma by inhibiting CDK9, promoting MYC protein turnover, reducing MYC phosphorylation on the stable Ser62 residue and downregulating MYC transcriptional targets, inhibiting the growth of diffuse large B-cell lymphoma cell lines in vitro and in vivo and independent of the cell origin.
CAS Number
1333468-05-5
UNSPSC
12352005
Target
Bcl-2 Family; CDK; c-Myc
Type
Reference compound
Related Pathways
Apoptosis; Cell Cycle/DNA Damage
Applications
Cancer-Kinase/protease
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/rel-az5576.html
Solubility
DMSO : 200 mg/mL (ultrasonic)
Smiles
O=C([C@H]1C[C@@H](NC(C)=O)CCC1)NC2=NC=CC(C3=CC=C(F)C=C3OC)=C2
Molecular Formula
C21H24FN3O3
Molecular Weight
385.43
References & Citations
[1]Cyclin-Dependent Kinase-9 Is a Therapeutic Target in MYC-Expressing Diffuse Large B-Cell Lymphoma
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(1S,3R)-3-Acetamido-N-(4-(4-fluoro-2-methoxyphenyl)pyridin-2-yl)cyclohexane-1-carboxamide
CAS Number1333468-05-5
PubChem CID53373586
IUPAC Namecis-(1S,3R)-3-acetamido-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclohexane-1-carboxamide
Molecular FormulaC21H24FN3O3
Molecular Weight385.4
XLogP2.6
Topological Polar Surface Area80.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity547
SMILES
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)NC2=NC=CC(=C2)C3=C(C=C(C=C3)F)OC
InChI
InChI=1S/C21H24FN3O3/c1-13(26)24-17-5-3-4-15(10-17)21(27)25-20-11-14(8-9-23-20)18-7-6-16(22)12-19(18)28-2/h6-9,11-12,15,17H,3-5,10H2,1-2H3,(H,24,26)(H,23,25,27)/t15-,17+/m0/s1
InChIKey
QNWXRLPZIFMTBK-DOTOQJQBSA-N
Chemical Structure
2D Structure
2D structure of (1S,3R)-3-Acetamido-N-(4-(4-fluoro-2-methoxyphenyl)pyridin-2-yl)cyclohexane-1-carboxamide
CAS: 1333468-05-5
CID: 53373586
Formula: C21H24FN3O3
MW: 385.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight385.4
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass385.18016980
Monoisotopic Mass385.18016980
Topological Polar Surface Area80.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity547
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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