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LIT-927

CAT: 0013-GTR19162753-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19162753-02Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
LIT-927 (LIT927) is the first selective, locally and orally active CXCL12 neutraligand with Ki of 267 nM for CXCL12-TR binding inhibition; displays excellent selectivity over other chemokines (CCL17, CCL22, CCL5 and CCL2), inhibits the increase in intracellular calcium concentration in EGFP-CXCR4+HEK cells in response to CXCL12 at 10 uM, has no effect on calcium responses triggered by either CCL17 or CCL22 on EGFP-CCR4+HEK cells, CCL5 on EGFP-CCR5+ HEK cells, or by CCL2 on EGFP-CCR2+HEK cells; reduces eosinophil recruitment in murine model of allergic airway hypereosinophilia.
CAS Number
2172879-52-4
Product Name Alternative
LIT927
Purity
>98% (HPLC)
Solubility
DMSO: 25 mg/mL, 76.05 mM; Water: Insoluble (< 1 mg/ml refers to the product slightly soluble or insoluble)
Smiles
O=C1N=C (C2=CC=C (Cl) C=C2) C=C (C3=CC=C (O) C (OC) =C3) N1
Molecular Formula
C17H13ClN2O3
Molecular Weight
328.752
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
4- (4-Chlorophenyl) -6- (4-hydroxy-3-methoxyphenyl) pyrimidin-2 (1H) -one

Chemical Information

4-(4-Chlorophenyl)-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-2(1H)-one
CAS Number2172879-52-4
PubChem CID137287575
IUPAC Name6-(4-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-1H-pyrimidin-2-one
Molecular FormulaC17H13ClN2O3
Molecular Weight328.7
XLogP3.1
Topological Polar Surface Area70.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity512
SMILES
COC1=C(C=CC(=C1)C2=NC(=O)NC(=C2)C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C17H13ClN2O3/c1-23-16-8-11(4-7-15(16)21)14-9-13(19-17(22)20-14)10-2-5-12(18)6-3-10/h2-9,21H,1H3,(H,19,20,22)
InChIKey
BYYRNPIGDRRGLJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-Chlorophenyl)-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-2(1H)-one
CAS: 2172879-52-4
CID: 137287575
Formula: C17H13ClN2O3
MW: 328.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.7
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass328.0614700
Monoisotopic Mass328.0614700
Topological Polar Surface Area70.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity512
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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