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IPI-9119

CAT: 0013-GTR19170986-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19170986-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
IPI-9119 is a potent, orally bioavailable, and irreversible inhibitor of fatty acid synthase (FASN) with an IC50 of 0.3 nM. This small molecule is a valuable research tool for investigating FASN's role in cancer metabolism, supporting both in vitro biochemical assays and in vivo xenograft studies.
CAS Number
1346564-56-4
Product Name Alternative
22Rv1, AR-FL, AR-V7, C4-2, cancer, castration-resistant, CRPC, inhibit, irreversible, IPI9119, IPI-9119, IPI 9119, Inhibitor, LNCaP-95, LNCaP, orally, FattyAcidSynthase, Fatty Acid Synthase (FASN), Fatty Acid Synthase, prostate
Field of Research
Metabolism Research
Purity
98.86% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (6.66 mM) ; DMSO:95 mg/mL (191.75 mM)
Smiles
CC (C) N (C (=O) n1nnn (-c2c (F) cccc2F) c1=O) c1ccc (cc1Oc1ccccc1) C (O) =O
Molecular Formula
C24H19F2N5O5
Molecular Weight
495.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-[[4-(2,6-Difluorophenyl)-5-oxotetrazole-1-carbonyl]-propan-2-ylamino]-3-phenoxybenzoic acid
CAS Number1346564-56-4
PubChem CID68208572
IUPAC Name4-[[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]-propan-2-ylamino]-3-phenoxybenzoic acid
Molecular FormulaC24H19F2N5O5
Molecular Weight495.4
XLogP5.2
Topological Polar Surface Area115
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity845
SMILES
CC(C)N(C1=C(C=C(C=C1)C(=O)O)OC2=CC=CC=C2)C(=O)N3C(=O)N(N=N3)C4=C(C=CC=C4F)F
InChI
InChI=1S/C24H19F2N5O5/c1-14(2)29(19-12-11-15(22(32)33)13-20(19)36-16-7-4-3-5-8-16)23(34)31-24(35)30(27-28-31)21-17(25)9-6-10-18(21)26/h3-14H,1-2H3,(H,32,33)
InChIKey
VYXOFKWKPKVNID-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[[4-(2,6-Difluorophenyl)-5-oxotetrazole-1-carbonyl]-propan-2-ylamino]-3-phenoxybenzoic acid
CAS: 1346564-56-4
CID: 68208572
Formula: C24H19F2N5O5
MW: 495.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight495.4
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass495.13542505
Monoisotopic Mass495.13542505
Topological Polar Surface Area115 Ų
Heavy Atom Count36
Formal Charge0
Complexity845
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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