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YKL-05-099

CAT: 0804-HY-101147-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-101147-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
YKL-05-099 is a salt-inducible kinase (SIK) inhibitor. YKL-05-099 binds to SIK1 and SIK3 with IC50s of ~10 and ~30 nM, respectively. YKL-05-099 has slightly less potent SIK2-inhibitory (IC50=40 nM) [1].
CAS Number
1936529-65-5
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Salt-inducible Kinase (SIK)
Type
Reference compound
Related Pathways
Immunology/Inflammation
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/YKL-05-099.html
Purity
99.76
Solubility
DMSO : ≥ 75 mg/mL
Smiles
O=C1N(C2=NC=C(OC)C=C2)C3=NC(NC4=CC=C(C5CCN(C)CC5)C=C4OC)=NC=C3CN1C6=C(C)C=CC=C6Cl
Molecular Formula
C32H34ClN7O3
Molecular Weight
600.11
Precautions
H302, H315, H319, H335
References & Citations
[1]Sundberg TB, et al. Development of Chemical Probes for Investigation of Salt-Inducible Kinase Function in Vivo. ACS Chem Biol. 2016 Aug 19;11 (8) :2105-11.
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
SIK1; SIK3

Chemical Information

3-(2-chloro-6-methylphenyl)-7-(2-methoxy-4-(1-methylpiperidin-4-yl)anilino)-1-(5-methoxypyridin-2-yl)-4H-pyrimido(4,5-d)pyrimidin-2-one
CAS Number1936529-65-5
PubChem CID121596782
IUPAC Name3-(2-chloro-6-methylphenyl)-7-[2-methoxy-4-(1-methylpiperidin-4-yl)anilino]-1-(5-methoxy-2-pyridinyl)-4H-pyrimido[4,5-d]pyrimidin-2-one
Molecular FormulaC32H34ClN7O3
Molecular Weight600.1
XLogP5.2
Topological Polar Surface Area96
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count43
Formal Charge0
Complexity925
SMILES
CC1=C(C(=CC=C1)Cl)N2CC3=CN=C(N=C3N(C2=O)C4=NC=C(C=C4)OC)NC5=C(C=C(C=C5)C6CCN(CC6)C)OC
InChI
InChI=1S/C32H34ClN7O3/c1-20-6-5-7-25(33)29(20)39-19-23-17-35-31(37-30(23)40(32(39)41)28-11-9-24(42-3)18-34-28)36-26-10-8-22(16-27(26)43-4)21-12-14-38(2)15-13-21/h5-11,16-18,21H,12-15,19H2,1-4H3,(H,35,36,37)
InChIKey
VQINULODWGEVBB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2-chloro-6-methylphenyl)-7-(2-methoxy-4-(1-methylpiperidin-4-yl)anilino)-1-(5-methoxypyridin-2-yl)-4H-pyrimido(4,5-d)pyrimidin-2-one
CAS: 1936529-65-5
CID: 121596782
Formula: C32H34ClN7O3
MW: 600.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight600.1
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass599.2411657
Monoisotopic Mass599.2411657
Topological Polar Surface Area96 Ų
Heavy Atom Count43
Formal Charge0
Complexity925
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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Alternative Products

CatalogName
BA6249-10YKL-05-099
A20553-50YKL-05-099 50mg
A20553-1YKL-05-099 1mg
A20553-100YKL-05-099 100mg
A20553-25YKL-05-099 25mg
A20553-10YKL-05-099 10mg
A20553-5YKL-05-099 5mg
A20553-10mM-DYKL-05-099 10mM * 1mL in DMSO

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