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SY-5609 , CAS No.S614276, Inhibitor of cyclin dependent kinase 12;Inhibitor of cyclin dependent kinase 7;Inhibitor of cyclin dependent kinase 9

COA COA
In stock
Item Number
S614276
Grouped product items
SKU Size
Availability
 Price Qty
S614276-1mg
1mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$134.90
S614276-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$342.90
S614276-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$1,199.90
Wish List
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Apoptosis (4276) Cell Cycle (2830) cyclin dependent kinase 12 Inhibitor (2) cyclin dependent kinase 7 Inhibitor (15) cyclin dependent kinase 9 Inhibitor (29)

Basic Description

Synonyms CDK7-IN-3 | BDBM50583929 | 1H-Indole-6-carbonitrile, 7-(dimethylphosphinyl)-3-(2-(((3S)-6,6-dimethyl-3-piperidinyl)amino)-5-(trifluoromethyl)-4-pyrimidinyl)- | JDJOUBVVSQDIRC-AWEZNQCLSA-N | EN300-37407429 | 1H-Indole-6-carbonitrile, 7-(dimethylphosphinyl)
Specifications & Purity Moligand™, ≥98%
Storage Temp Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade Moligand™
Action Type INHIBITOR
Mechanism of action Inhibitor of cyclin dependent kinase 12;Inhibitor of cyclin dependent kinase 7;Inhibitor of cyclin dependent kinase 9
Product Description

SY-5609 (CDK7-IN-3) is a 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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Indoles and derivatives
Subclass Indoles
Intermediate Tree Nodes Not available
Direct Parent Indoles
Alternative Parents Secondary alkylarylamines  Pyrimidines and pyrimidine derivatives  Piperidines  Benzenoids  Pyrroles  Organophosphine oxides  Heteroaromatic compounds  Nitriles  Dialkylamines  Azacyclic compounds  Organopnictogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Indole - Secondary aliphatic/aromatic amine - Benzenoid - Pyrimidine - Piperidine - Heteroaromatic compound - Pyrrole - Organophosphine oxide - Azacycle - Secondary amine - Nitrile - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
External Descriptors Not available

Associated Targets(Human)

CDK7 Tchem Cyclin-dependent kinase 7 (0 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
CDK9 Tchem Cyclin-dependent kinase 9 (0 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
CDK12 Tchem Cyclin-dependent kinase 12 (0 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CDK7 Tchem Cyclin-dependent kinase 7 (1512 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MDA-MB-468 (9477 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
NHDF (1164 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
OVCAR-3 (48710 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Caov-3 cell line (328 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MDA-MB-231 (73002 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HCC70 (557 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CCNE1 Tchem Cyclin-dependent kinase 2/cyclin E1 (1877 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CCNH Tbio Cyclin-dependent kinase 7/ cyclin H (714 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CCNT1 Tchem CDK9/cyclin T1 (2643 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name 7-dimethylphosphoryl-3-[2-[[(3S)-6,6-dimethylpiperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indole-6-carbonitrile
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
Smiles CC1(CCC(CN1)NC2=NC=C(C(=N2)C3=CNC4=C3C=CC(=C4P(=O)(C)C)C#N)C(F)(F)F)C
Isomeric 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
Alternate CAS 2417302-07-7
PubChem CID 146662729
MeSH Entry Terms (S)-7-(dimethylphosphoryl)-3-(2-((6,6-dimethylpiperidin- 3-yl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)-1H-indole- 6-carbonitrile;SY-5609
Molecular Weight 490.46

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Molecular Weight 490.500 g/mol
XLogP3 2.700
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 4
Exact Mass 490.186 Da
Monoisotopic Mass 490.186 Da
Topological Polar Surface Area 106.000 Ų
Heavy Atom Count 34
Formal Charge 0
Complexity 838.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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