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SB-201076

CAT: 0013-GTR19210157-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210157-01Size:25 mg
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Description
SB-204990 is a cell-permeable prodrug that is hydrolyzed to the active ATP citrate-lyase (ACLY) inhibitor SB-201076. This small molecule is used in research to investigate lipid metabolism, particularly in studies exploring oncogenesis and metabolic disorders in both cellular and animal models.
CAS Number
154566-05-9
Smiles
C (CCCCC[C@@H] (C[C@@] (CC (O) =O) (C (O) =O) O) O) C1=C (Cl) C=C (Cl) C=C1
Molecular Formula
C18H24Cl2O6
Molecular Weight
407.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

SB 201076

structure in first source

CAS Number154566-05-9
PubChem CID10835222
IUPAC Name(2S)-2-[(2R)-8-(2,4-dichlorophenyl)-2-hydroxyoctyl]-2-hydroxybutanedioic acid
Molecular FormulaC18H24Cl2O6
Molecular Weight407.3
XLogP3.8
Topological Polar Surface Area115
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Heavy Atom Count26
Formal Charge0
Complexity461
SMILES
C1=CC(=C(C=C1Cl)Cl)CCCCCC[C@H](C[C@](CC(=O)O)(C(=O)O)O)O
InChI
InChI=1S/C18H24Cl2O6/c19-13-8-7-12(15(20)9-13)5-3-1-2-4-6-14(21)10-18(26,17(24)25)11-16(22)23/h7-9,14,21,26H,1-6,10-11H2,(H,22,23)(H,24,25)/t14-,18+/m1/s1
InChIKey
NPZOIISFQXTCQN-KDOFPFPSSA-N
Chemical Structure
2D Structure
2D structure of SB 201076
CAS: 154566-05-9
CID: 10835222
Formula: C18H24Cl2O6
MW: 407.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight407.3
XLogP33.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass406.0949939
Monoisotopic Mass406.0949939
Topological Polar Surface Area115 Ų
Heavy Atom Count26
Formal Charge0
Complexity461
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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Alternative Products

CatalogName
T70466-01SB-201076
217783SB-277011-A Dihydrochloride (SB277011A, SB 277011A, Dopamine D3 Receptor Antagonist, SB-277011-A, SB-277011A)
366911-01SB 216763 (SB216763, SB-216763, SCHEMBL30251)
BA5664-5SB-649868
BA8268-10SB-435495
B6710-10SB 218795
BA5318-1SB-209670
B8200-5SB 225002
B6713-10SB 221284
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