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SY-5609

CAT: 0804-HY-138293-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-138293-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SY-5609 (CDK7-IN-3) is an orally active, highly selective, noncovalent CDK7 inhibitor with a KD of 0.065 nM. SY-5609 shows poor inhibition on CDK2 (Ki=2600 nM), CDK9 (Ki=960 nM), CDK12 (Ki=870 nM) . SY-5609 induces apoptosis in tumor cells and has antitumor activity[1][2].
CAS Number
2417302-07-7
Product Name Alternative
CDK7-IN-3
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
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/cdk7-in-3.html
Purity
99.9300
Solubility
DMSO : 40 mg/mL (ultrasonic)
Smiles
N#CC1=C(P(C)(C)=O)C2=C(C=C1)C(C3=NC(N[C@@H]4CNC(C)(C)CC4)=NC=C3C(F)(F)F)=CN2
Molecular Formula
C23H26F3N6OP
Molecular Weight
490.46
Precautions
H302, H315, H319, H335
References & Citations
[1]Michael Bradley, et al. Inhibitors of cyclin-dependent kinase 7 (cdk7) . WO2020093011A1.|[2]Jason J Marineau, et al. Discovery of SY-5609: A Selective, Noncovalent Inhibitor of CDK7. J Med Chem. 2021 Nov 2.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
Phase 1
Isoform
CDK12; CDK2; CDK7; CDK9

Chemical Information

Sy-5609

CDK7 Inhibitor SY-5609 is an orally bioavailable, selective inhibitor of cyclin-dependent kinase 7 (CDK7), with potential antineoplastic activity. Upon oral administration, SY-5609 selectively targets, binds to and inhibits the activity of CDK7, thereby inhibiting CDK7-mediated signaling. Specifically, inhibition of CDK7 prevents phosphorylation of the carboxy-terminal domain (CTD) of RNA Polymerase II, thereby preventing transcription of important cancer-promoting genes. In addition, it prevents phosphorylation of the cell cycle kinases CDK1, 2, 4, and 6, thereby disrupting uncontrolled cell cycle progression. Altogether, this may induce apoptosis, cause cell cycle arrest, inhibit DNA damage repair and inhibit tumor cell proliferation in certain cancers that are dependent on CDK7-mediated transcriptional regulation and signaling. CDK7, a serine/threonine kinase, plays a role in controlling cell cycle progression, transcriptional regulation, and promotes the expression of key oncogenes such as c-Myc and beta-catenin, through the phosphorylation of RNA polymerase II.

CAS Number2417302-07-7
PubChem CID146662729
IUPAC Name7-dimethylphosphoryl-3-[2-[[(3S)-6,6-dimethylpiperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indole-6-carbonitrile
Molecular FormulaC23H26F3N6OP
Molecular Weight490.5
XLogP2.7
Topological Polar Surface Area106
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity838
SMILES
CC1(CC[C@@H](CN1)NC2=NC=C(C(=N2)C3=CNC4=C3C=CC(=C4P(=O)(C)C)C#N)C(F)(F)F)C
InChI
InChI=1S/C23H26F3N6OP/c1-22(2)8-7-14(10-30-22)31-21-29-12-17(23(24,25)26)18(32-21)16-11-28-19-15(16)6-5-13(9-27)20(19)34(3,4)33/h5-6,11-12,14,28,30H,7-8,10H2,1-4H3,(H,29,31,32)/t14-/m0/s1
InChIKey
JDJOUBVVSQDIRC-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of Sy-5609
CAS: 2417302-07-7
CID: 146662729
Formula: C23H26F3N6OP
MW: 490.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight490.5
XLogP32.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass490.18578096
Monoisotopic Mass490.18578096
Topological Polar Surface Area106 Ų
Heavy Atom Count34
Formal Charge0
Complexity838
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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