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YK-2168

CAT: 0804-HY-162919-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-162919-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
YK-2168 is a differentiated selective inhibitor of CDK9[1].
CAS Number
2571068-74-9
UNSPSC
12352005
Target
CDK
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/yk-2168.html
Purity
98.05
Solubility
DMSO : 100 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
ClC1=CN=C(NC(C2CCNCC2)=C3)C3=C1C4=CN(C)N=C4
Molecular Formula
C16H18ClN5
Molecular Weight
315.80
References & Citations
[1]Yingchun Liu, et al. Discovery and preclinical profile of YK-2168, a differentiated selective CDK9 inhibitor in clinical development. Bioorg Med Chem Lett. 2024 Nov 1:112:129941.Yingchun Liu, et al. Discovery and preclinical profile of YK-2168, a differentiated selective CDK9 inhibitor in clinical development. Bioorg Med Chem Lett. 2024 Nov 1:112:129941.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

5-chloro-4-(1-methylpyrazol-4-yl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
CAS Number2571068-74-9
PubChem CID164929995
IUPAC Name5-chloro-4-(1-methylpyrazol-4-yl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
Molecular FormulaC16H18ClN5
Molecular Weight315.80
XLogP2
Topological Polar Surface Area58.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity389
SMILES
CN1C=C(C=N1)C2=C3C=C(NC3=NC=C2Cl)C4CCNCC4
InChI
InChI=1S/C16H18ClN5/c1-22-9-11(7-20-22)15-12-6-14(10-2-4-18-5-3-10)21-16(12)19-8-13(15)17/h6-10,18H,2-5H2,1H3,(H,19,21)
InChIKey
HXJZLLNYPHBNSR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-chloro-4-(1-methylpyrazol-4-yl)-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
CAS: 2571068-74-9
CID: 164929995
Formula: C16H18ClN5
MW: 315.80
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.80
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass315.1250733
Monoisotopic Mass315.1250733
Topological Polar Surface Area58.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity389
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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