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Pro-FTY

CAT: 0013-GTR19263727-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19263727-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Pro-FTY is an anticancer prodrug of FTY720 and acts as a sphingosine-1-phosphate (S1P) inhibitor. It specifically inhibits S1P signaling in cancer cells via a drug delivery system (DDS) that reacts with acrolein. pro-FTY significantly reduces the survival of breast cancer cells, including multidrug-resistant cells and organoids resistant to Paclitaxel or Doxorubicin. Additionally, pro-FTY effectively suppresses tumor growth in xenograft mouse models of 4T1 cells or organoids while avoiding lymphopenia.
CAS Number
3064707-13-4
Field of Research
Pharmacology & Drug Discovery, Signal Transduction, Stem Cell & Developmental Biology
Smiles
[N-]=[N+]=NC=1C (=CC (=CC1C (C) C) COC (=O) NC (CO) (CO) CCC2=CC=C (C=C2) CCCCCCCC) C (C) C
Molecular Formula
C33H50N4O4
Molecular Weight
566.77
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[4-azido-3,5-di(propan-2-yl)phenyl]methyl N-[1-hydroxy-2-(hydroxymethyl)-4-(4-octylphenyl)butan-2-yl]carbamate
CAS Number3064707-13-4
PubChem CID178203368
IUPAC Name[4-azido-3,5-di(propan-2-yl)phenyl]methyl N-[1-hydroxy-2-(hydroxymethyl)-4-(4-octylphenyl)butan-2-yl]carbamate
Molecular FormulaC33H50N4O4
Molecular Weight566.8
XLogP9.5
Topological Polar Surface Area93.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count19
Heavy Atom Count41
Formal Charge0
Complexity755
SMILES
CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)NC(=O)OCC2=CC(=C(C(=C2)C(C)C)N=[N+]=[N-])C(C)C
InChI
InChI=1S/C33H50N4O4/c1-6-7-8-9-10-11-12-26-13-15-27(16-14-26)17-18-33(22-38,23-39)35-32(40)41-21-28-19-29(24(2)3)31(36-37-34)30(20-28)25(4)5/h13-16,19-20,24-25,38-39H,6-12,17-18,21-23H2,1-5H3,(H,35,40)
InChIKey
DXHUYOLFPKENHB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [4-azido-3,5-di(propan-2-yl)phenyl]methyl N-[1-hydroxy-2-(hydroxymethyl)-4-(4-octylphenyl)butan-2-yl]carbamate
CAS: 3064707-13-4
CID: 178203368
Formula: C33H50N4O4
MW: 566.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight566.8
XLogP39.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count19
Exact Mass566.38320609
Monoisotopic Mass566.38320609
Topological Polar Surface Area93.2 Ų
Heavy Atom Count41
Formal Charge0
Complexity755
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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T211329-01Pro-FTY
BML-SL233-0025FTY-720 . HCl
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463970-01(R) -FTY-720 Vinylphosphonate
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