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SC-919

CAT: 0013-GTR19272872-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19272872-02Size:50 mg
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Description
SC-919 (LI-2124) is an orally active and selective inhibitor that targets inositol hexakisphosphate kinases (IP6K, including the subtypes IP6K1, IP6K2, and IP6K3), with an IC50 value of 0.65 nM for IP6K3. By inhibiting IP6K, SC-919 reduces the production of inositol pyrophosphates (such as InsP7), thereby inhibiting XPR1-mediated phosphate efflux from cells and increasing intracellular ATP levels. SC-919 shows potential for research in hyperphosphatemia associated with chronic kidney disease (CKD) .
CAS Number
2245949-62-4
Smiles
O=C1[C@]2 (C=3C (N1) =CC=C (C (O) =O) C3) CC[C@H] (OC4=C (Cl) C=C (Cl) C=N4) CC2
Molecular Formula
C19H16Cl2N2O4
Molecular Weight
407.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4'-[(3,5-dichloro-2-pyridinyl)oxy]-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxylic acid
CAS Number2245949-62-4
PubChem CID135347587
IUPAC Name4'-[(3,5-dichloro-2-pyridinyl)oxy]-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxylic acid
Molecular FormulaC19H16Cl2N2O4
Molecular Weight407.2
XLogP3.6
Topological Polar Surface Area88.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity596
SMILES
C1CC2(CCC1OC3=C(C=C(C=N3)Cl)Cl)C4=C(C=CC(=C4)C(=O)O)NC2=O
InChI
InChI=1S/C19H16Cl2N2O4/c20-11-8-14(21)16(22-9-11)27-12-3-5-19(6-4-12)13-7-10(17(24)25)1-2-15(13)23-18(19)26/h1-2,7-9,12H,3-6H2,(H,23,26)(H,24,25)
InChIKey
CZKCQEAQCVKSAR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4'-[(3,5-dichloro-2-pyridinyl)oxy]-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxylic acid
CAS: 2245949-62-4
CID: 135347587
Formula: C19H16Cl2N2O4
MW: 407.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight407.2
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass406.0487124
Monoisotopic Mass406.0487124
Topological Polar Surface Area88.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity596
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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