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Genz-123346 free base

CAT: 0013-GTR19160314-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160314-01Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Genz-123346 is a potent and selective glucosylceramide synthase inhibitor with potential anticancer activity. Exposure of cells to Genz-123346 and to other GCS inhibitors at non-toxic concentrations can enhance the killing of tumor cells by cytotoxic anti-cancer agents. Genz-123346 and a few other GCS inhibitors are substrates for multi-drug resistance efflux pumps such as P-gp (ABCB1, gP-170) . In cell lines selected to over-express P-gp or which endogenously express P-gp, chemosensitization by Genz-123346 was primarily due to the effects on P-gp function.
CAS Number
491833-30-8
Product Name Alternative
Genz123346 | Genz-123346 | Genz 123346
Purity
>98% (HPLC)
Solubility
DMSO : ≥ 100 mg/mL; 238.91 mM
Smiles
C (=O) (CCCCCCCC) N[C@@H] ([C@H] (O) c1cc2c (OCCO2) cc1) CN1CCCC1
Molecular Formula
C24H38N2O4
Molecular Weight
418.57
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
N-[ (1R,2R) -1- (2,3-Dihydrobenzo[b][1,4]dioxin-6-yl) -1-hydroxy-3- (pyrrolidin-1-yl) propan-2-yl]nonanamide

Chemical Information

Genz-123346
CAS Number491833-30-8
PubChem CID23652732
IUPAC NameN-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]nonanamide
Molecular FormulaC24H38N2O4
Molecular Weight418.6
XLogP4.2
Topological Polar Surface Area71
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count30
Formal Charge0
Complexity498
SMILES
CCCCCCCCC(=O)N[C@H](CN1CCCC1)[C@@H](C2=CC3=C(C=C2)OCCO3)O
InChI
InChI=1S/C24H38N2O4/c1-2-3-4-5-6-7-10-23(27)25-20(18-26-13-8-9-14-26)24(28)19-11-12-21-22(17-19)30-16-15-29-21/h11-12,17,20,24,28H,2-10,13-16,18H2,1H3,(H,25,27)/t20-,24-/m1/s1
InChIKey
JMNXWOFCUJJYEO-HYBUGGRVSA-N
Chemical Structure
2D Structure
2D structure of Genz-123346
CAS: 491833-30-8
CID: 23652732
Formula: C24H38N2O4
MW: 418.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.6
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass418.28315770
Monoisotopic Mass418.28315770
Topological Polar Surface Area71 Ų
Heavy Atom Count30
Formal Charge0
Complexity498
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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