10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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.
Information
HCH6-1 HCH6-1 is a selective competitive antagonist of formyl peptide receptor 1 (FPR1) and has protective effects against acute lung injury (ALI). HCH6-1 may have potential as a new therapeutic agent for treating FPR1-involved inflammatory lung diseases.
Targets
FPR1
| ALogP | 4.178 |
|---|---|
| HBD Count | 3 |
| Rotatable Bond | 10 |
| Canonical Smiles | COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CC=C4 |
|---|---|
| IUPAC Name | methyl (2R)-2-[[(2S)-2-benzamido-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoate |
| InChIKey | MPFZAIDTRUPTSU-LOSJGSFVSA-N |
| INCHI | 1S/C28H27N3O4/c1-35-28(34)25(16-19-10-4-2-5-11-19)31-27(33)24(30-26(32)20-12-6-3-7-13-20)17-21-18-29-23-15-9-8-14-22(21)23/h2-15,18,24-25,29H,16-17H2,1H3,(H,30,32)(H,31,33)/t24-,25+/m0/s1 |
| Isomeric SMILES | COC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CC=C4 |
| PubChem CID | 71697968 |
| Molecular Weight | 469.53 |
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 | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Peptides |
| Alternative Parents | Phenylalanine and derivatives Alpha amino acid esters N-acyl-alpha amino acids and derivatives Hippuric acids and derivatives Tryptamines and derivatives Alpha amino acid amides 3-alkylindoles Amphetamines and derivatives Benzoyl derivatives Fatty acid esters Substituted pyrroles Fatty amides Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alpha peptide - Phenylalanine or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Triptan - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - 3-alkylindole - Benzamide - Benzoic acid or derivatives - Indole - Indole or derivatives - Benzoyl - Fatty acid ester - Fatty acyl - Fatty amide - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Methyl ester - Heteroaromatic compound - Pyrrole - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| DMSO(mg / mL) Max Solubility | 94 |
|---|---|
| DMSO(mM) Max Solubility | 200.2002002002 |
| Water(mg / mL) Max Solubility | ＜1 |
| Molecular Weight | 469.500 g/mol |
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 10 |
| Exact Mass | 469.2 Da |
| Monoisotopic Mass | 469.2 Da |
| Topological Polar Surface Area | 100.000 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 717.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 | 1 |
