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ST1072

CAT: 0013-GTR19274722-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19274722-01Size:50 mg
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Description
ST1072 is a dual inhibitor of CerS4 and CerS6. It significantly reduces the proliferation of mouse T cells and the production of IFN-γ, making it a useful compound for research on hematological malignancies.
CAS Number
1402703-50-7
Smiles
O=C (NC (CO) (CO) CCC1=CC=C (OCCCCCCC) C=C1) CCCC=2C=CC=CC2
Molecular Formula
C28H41NO4
Molecular Weight
455.64
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[4-(4-heptoxyphenyl)-1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-phenylbutanamide
CAS Number1402703-50-7
PubChem CID171350709
IUPAC NameN-[4-(4-heptoxyphenyl)-1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-phenylbutanamide
Molecular FormulaC28H41NO4
Molecular Weight455.6
XLogP5.5
Topological Polar Surface Area78.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count17
Heavy Atom Count33
Formal Charge0
Complexity494
SMILES
CCCCCCCOC1=CC=C(C=C1)CCC(CO)(CO)NC(=O)CCCC2=CC=CC=C2
InChI
InChI=1S/C28H41NO4/c1-2-3-4-5-9-21-33-26-17-15-25(16-18-26)19-20-28(22-30,23-31)29-27(32)14-10-13-24-11-7-6-8-12-24/h6-8,11-12,15-18,30-31H,2-5,9-10,13-14,19-23H2,1H3,(H,29,32)
InChIKey
RTQFGHDZRAWLID-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[4-(4-heptoxyphenyl)-1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-phenylbutanamide
CAS: 1402703-50-7
CID: 171350709
Formula: C28H41NO4
MW: 455.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight455.6
XLogP35.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count17
Exact Mass455.30355879
Monoisotopic Mass455.30355879
Topological Polar Surface Area78.8 Ų
Heavy Atom Count33
Formal Charge0
Complexity494
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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