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SB 204990

CAT: 0013-GTR19174167-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19174167-02Size:5 mg
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Description
SB 204990 is a lactone prodrug that is metabolized to the active ATP-citrate lyase (ACLY) inhibitor SB-201076. This specific inhibitor is used in research to study lipid metabolism and has been applied in both in vitro and in vivo models investigating metabolic disorders and cancer.
CAS Number
154566-12-8
Product Name Alternative
ATPCitrateLyase, ATP Citrate Lyase, ACLY, inhibit, Inhibitor, SB 204990, SB204990, SB-204990
Field of Research
Metabolism Research
Purity
96.32% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:5 mg/mL (12.84 mM) ; H2O:10 mg/mL (25.69 mM) ; DMSO:242 mg/mL (621.68 mM)
Smiles
OC (=O) C[C@@]1 (O) C[C@@H] (CCCCCCc2ccc (Cl) cc2Cl) OC1=O
Molecular Formula
C18H22Cl2O5
Molecular Weight
389.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

SB 204990
CAS Number154566-12-8
PubChem CID10340264
IUPAC Name2-[(3S,5R)-5-[6-(2,4-dichlorophenyl)hexyl]-3-hydroxy-2-oxooxolan-3-yl]acetic acid
Molecular FormulaC18H22Cl2O5
Molecular Weight389.3
XLogP5.1
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count25
Formal Charge0
Complexity472
SMILES
C1[C@H](OC(=O)[C@]1(CC(=O)O)O)CCCCCCC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C18H22Cl2O5/c19-13-8-7-12(15(20)9-13)5-3-1-2-4-6-14-10-18(24,11-16(21)22)17(23)25-14/h7-9,14,24H,1-6,10-11H2,(H,21,22)/t14-,18+/m1/s1
InChIKey
YTRNLFYTHYWDAU-KDOFPFPSSA-N
Chemical Structure
2D Structure
2D structure of SB 204990
CAS: 154566-12-8
CID: 10340264
Formula: C18H22Cl2O5
MW: 389.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.3
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass388.0844292
Monoisotopic Mass388.0844292
Topological Polar Surface Area83.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity472
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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