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
(S,R,S)-AHPC (MDK7526, VH032-NH2, VHL ligand 1) is the VH032-based VHL ligand used in the recruitment of the von Hippel-Lindau (VHL) protein. (S,R,S)-AHPC is potential useful for the targeted degradation of the androgen receptor . (S,R,S)-AHPC can be connected to the ligand for protein such as BCR-ABL1 by a linker to form PROTACs such as GMB-475. GMB-475 induces the degradation of BCR-ABL1 with IC50 of 1.11 μM in Ba/F3 cells.
Targets
Androgen Receptor
| ALogP | 0.915 |
|---|---|
| HBD Count | 3 |
| Rotatable Bond | 6 |
| Canonical Smiles | CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)N)O |
|---|---|
| IUPAC Name | (2S,4R)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide |
| InChIKey | ZLOXMSNKPDWMEF-ZIFCJYIRSA-N |
| INCHI | 1S/C22H30N4O3S/c1-13-18(30-12-25-13)15-7-5-14(6-8-15)10-24-20(28)17-9-16(27)11-26(17)21(29)19(23)22(2,3)4/h5-8,12,16-17,19,27H,9-11,23H2,1-4H3,(H,24,28)/t16-,17+,19-/m1/s1 |
| Isomeric SMILES | CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)N)O |
| PubChem CID | 89702519 |
| Molecular Weight | 430.56 |
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 | Peptides |
| Direct Parent | Dipeptides |
| Alternative Parents | Valine and derivatives Proline and derivatives Alpha amino acid amides N-acylpyrrolidines Pyrrolidinecarboxamides 4,5-disubstituted thiazoles Benzene and substituted derivatives Heteroaromatic compounds Tertiary carboxylic acid amides Secondary carboxylic acid amides Secondary alcohols Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alpha-dipeptide - Valine or derivatives - Proline or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - 4,5-disubstituted 1,3-thiazole - Monocyclic benzene moiety - Benzenoid - Thiazole - Tertiary carboxylic acid amide - Pyrrolidine - Heteroaromatic compound - Azole - Secondary carboxylic acid amide - Secondary alcohol - Amino acid or derivatives - Carboxamide group - Azacycle - Organoheterocyclic compound - Alcohol - Organic oxide - Primary aliphatic amine - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Primary amine - Amine - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. |
| External Descriptors | Not available |
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| DMSO(mg / mL) Max Solubility | 86 |
|---|---|
| DMSO(mM) Max Solubility | 199.739873652917 |
| Water(mg / mL) Max Solubility | 10 |
| Water(mM) Max Solubility | 23.2255667038276 |
| Molecular Weight | 430.600 g/mol |
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 430.204 Da |
| Monoisotopic Mass | 430.204 Da |
| Topological Polar Surface Area | 137.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 618.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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 |
