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BI 99179

CAT: 0804-HY-16100-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-16100-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BI 99179, a chemical probe, is a potent and selective type I fatty acid synthase (FAS) inhibitor with an IC50 of 79 nM. BI 99179 is a tool compound suitable for the in vivo validation of FAS as a target for lipid metabolism related diseases. BI 99179 exhibits significant exposure (both peripheral and central) upon oral administration in rats[1][2].
CAS Number
1291779-76-4
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
Fatty Acid Synthase (FASN)
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Cancer; Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/bi99179.html
Purity
99.53
Solubility
DMSO : 33.33 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C([C@H]1C[C@@H](NC(CC)=O)CC1)N(C2=CC=C(C3=NC4=CC=CC=C4O3)C=C2)C
Molecular Formula
C23H25N3O3
Molecular Weight
391.46
Precautions
H315, H319, H335
References & Citations
[1]Kley JT, et al. Discovery of BI 99179, a potent and selective inhibitor of type I fatty acid synthase with central exposure.Bioorg Med Chem Lett. 2011 Oct 1;21 (19) :5924-7.|[2]Prosanta K Singha, et al. Evaluation of FASN inhibitors by a versatile toolkit reveals differences in pharmacology between human and rodent FASN preparations and in antiproliferative efficacy in vitro vs. in situ in human cancer cells. Eur J Pharm Sci. 2020 Apr 7;149:105321.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

BI 99179

inhibits fatty acid synthase type 1; structure in first source

CAS Number1291779-76-4
PubChem CID51346964
IUPAC Namecis-(1R,3S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-methyl-3-(propanoylamino)cyclopentane-1-carboxamide
Molecular FormulaC23H25N3O3
Molecular Weight391.5
XLogP3.4
Topological Polar Surface Area75.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity590
SMILES
CCC(=O)N[C@H]1CC[C@H](C1)C(=O)N(C)C2=CC=C(C=C2)C3=NC4=CC=CC=C4O3
InChI
InChI=1S/C23H25N3O3/c1-3-21(27)24-17-11-8-16(14-17)23(28)26(2)18-12-9-15(10-13-18)22-25-19-6-4-5-7-20(19)29-22/h4-7,9-10,12-13,16-17H,3,8,11,14H2,1-2H3,(H,24,27)/t16-,17+/m1/s1
InChIKey
YNFDIGJKJPNFFD-SJORKVTESA-N
Chemical Structure
2D Structure
2D structure of BI 99179
CAS: 1291779-76-4
CID: 51346964
Formula: C23H25N3O3
MW: 391.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.5
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass391.18959167
Monoisotopic Mass391.18959167
Topological Polar Surface Area75.4 Ų
Heavy Atom Count29
Formal Charge0
Complexity590
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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