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AZ5576

CAT: 0804-HY-143584-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-143584-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AZ5576 is a potent and highly selective CDK9 inhibitor (IC50: [1][2].
CAS Number
2751721-40-9
UNSPSC
12352005
Target
Apoptosis; CDK
Type
Reference compound
Related Pathways
Apoptosis; Cell Cycle/DNA Damage
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/az5576.html
Purity
99.86
Solubility
DMSO : 125 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]Bernard Barlaam, et al. Discovery of AZD4573, a Potent and Selective Inhibitor of CDK9 That Enables Short Duration of Target Engagement for the Treatment of Hematological Malignancies. |[2]Hashiguchi T, et al., Cyclin-Dependent Kinase-9 Is a Therapeutic Target in MYC-Expressing Diffuse Large B-Cell Lymphoma. Mol Cancer Ther. 2019 Sep;18 (9) :1520-1532.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CDK9

Chemical Information

(1S,3R)-3-Acetamido-N-(4-(4-fluoro-2-methoxyphenyl)pyridin-2-yl)cyclohexane-1-carboxamide
CAS Number2751721-40-9
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: 2751721-40-9
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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