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YKL-05-099

CAT: 0013-GTR19177840-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19177840-02Size:5 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 potent and selective salt-inducible kinase (SIK) inhibitor, with IC50 values of 10 nM, 40 nM, and 30 nM for SIK1, SIK2, and SIK3, respectively. This tool compound is widely used in biochemical and cellular research to investigate SIK signaling pathways in inflammation, metabolism, and bone homeostasis.
CAS Number
1936529-65-5
Product Name Alternative
Inhibitor, inhibit, SIK3, SIK2, SIK1, YKL05099, YKL-05-099, YKL 05 099, Salt-inducible Kinase (SIK)
Field of Research
Signal Transduction
Purity
99.22% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (3.33 mM) ; DMSO:45 mg/mL (74.99 mM)
Smiles
COc1ccc (nc1) N1C (=O) N (Cc2cnc (Nc3ccc (cc3OC) C3CCN (C) CC3) nc12) c1c (C) cccc1Cl
Molecular Formula
C32H34ClN7O3
Molecular Weight
600.11
Storage Conditions
-20°C
Notes
For research use only.

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
HY-101147RYKL-05-099 (Standard)
A20553-100YKL-05-099 100mg
A20553-25YKL-05-099 25mg
A20553-10YKL-05-099 10mg
A20553-5YKL-05-099 5mg

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