≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
BIBO 3304 trifluoroacetate is a high affinity NPY1-R antagonist (IC|50|values are 0.38 and 0.72 nM at human and rat receptors respectively) that displays > 2600-fold selectivity over NPY2-R, NPY4-R and NPY5-R receptors. Inhibits NPY- and fasting-induced feeding|in vivo|following central administration. Also antagonizes anxiolytic-like effects of NPY (neuropeptide Y).
| Ki Data | NPY1-R: Ki= 0.25 nM (human) |
|---|
| Canonical Smiles | C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(CCCN=C(N)N)C(=O)NCC3=CC=C(C=C3)CNC(=O)N.C(=O)(C(F)(F)F)O |
|---|---|
| IUPAC Name | (2R)-N-[[4-[(carbamoylamino)methyl]phenyl]methyl]-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]pentanamide;2,2,2-trifluoroacetic acid |
| InChIKey | FBMCYYWIBYEOST-GJFSDDNBSA-N |
| INCHI | 1S/C29H35N7O3.C2HF3O2/c30-28(31)33-17-7-12-24(26(37)34-18-20-13-15-21(16-14-20)19-35-29(32)39)36-27(38)25(22-8-3-1-4-9-22)23-10-5-2-6-11-23;3-2(4,5)1(6)7/h1-6,8-11,13-16,24-25H,7,12,17-19H2,(H,34,37)(H,36,38)(H4,30,31,33)(H3,32,35,39);(H,6,7)/t24-;/m1./s1 |
| Isomeric SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC3=CC=C(C=C3)CNC(=O)N.C(=O)(C(F)(F)F)O |
| RTECS | CY1482730 |
| PubChem CID | 5311021 |
| Molecular Weight | 529.6311402 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Diphenylmethanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylmethanes |
| Alternative Parents | N-acyl-alpha amino acids and derivatives Alpha amino acid amides Phenylacetamides N-acyl amines Alpha-halocarboxylic acids Ureas Secondary carboxylic acid amides Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxylic acids Monocarboxylic acids and derivatives Alkyl fluorides Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Not available |
| Substituents | Diphenylmethane - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Phenylacetamide - Fatty acyl - Fatty amide - N-acyl-amine - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Carboxamide group - Urea - Secondary carboxylic acid amide - Guanidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Carboximidamide - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Carbonyl group - Alkyl fluoride - Organic oxide - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. |
| External Descriptors | Not available |
| Solubility | Soluble in DMSO (100 mM), and ethanol (100 mM). |
|---|---|
| Refractive Index | n20D~1.64 (Predicted) |
| Specific Rotation[α] | α20/D -4.4°, c = 1 in DMSO |
| Molecular Weight | 643.700 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 13 |
| Exact Mass | 643.273 Da |
| Monoisotopic Mass | 643.273 Da |
| Topological Polar Surface Area | 215.000 Ų |
| Heavy Atom Count | 46 |
| Formal Charge | 0 |
| Complexity | 862.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
