≥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.
AG 957, Adamantyl Ester is a lipophilic, adamantyl ester form of tyrphostin AG 957 that displays anti-proliferative properties. The product has been shown to be selective and is ~3-4 fold more potent than the bcr/abl kinase inhibitor AG 957. AG 957, Adamantyl Ester Downregulates p210bcr/abl autokinase activity (IC|50|= 14 µM). Selectively blocks granulocyte colony formation in CML (chronic myelogenous leukemia) progenitors and inhibits proliferation of K562 cells (IC|50|= 9.8 µM) by inducing apoptosis. AG 957, Adamantyl Ester is reported to retain activity in STI571-resistant and p53-null human leukemia cell lines (IC|50|~0.1-0.25 µM).
AG 957, Adamantyl Esteris an ~3-4 fold more potent derivative of AG 957
| Canonical Smiles | C1C2CC3CC1CC(C2)(C3)OC(=O)C4=CC=C(C=C4)NCC5=C(C=CC(=C5)O)O |
|---|---|
| IUPAC Name | 1-adamantyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate |
| InChIKey | YJZSUCFGHXQWDM-UHFFFAOYSA-N |
| INCHI | 1S/C24H27NO4/c26-21-5-6-22(27)19(10-21)14-25-20-3-1-18(2-4-20)23(28)29-24-11-15-7-16(12-24)9-17(8-15)13-24/h1-6,10,15-17,25-27H,7-9,11-14H2 |
| Isomeric SMILES | C1C2CC3CC1CC(C2)(C3)OC(=O)C4=CC=C(C=C4)NCC5=C(C=CC(=C5)O)O |
| Molecular Weight | 393.48 |
| Reaxy-Rn | 10602008 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10602008&ln= |
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 | Phenylmethylamines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylbenzamines |
| Alternative Parents | Aminobenzoic acids and derivatives Benzoic acid esters Phenylalkylamines Hydroquinones Aniline and substituted anilines Benzylamines Benzoyl derivatives Secondary alkylarylamines 1-hydroxy-2-unsubstituted benzenoids Amino acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organooxygen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Phenylbenzamine - Aminobenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Benzylamine - Hydroquinone - Aniline or substituted anilines - Phenylalkylamine - Aralkylamine - Secondary aliphatic/aromatic amine - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Amino acid or derivatives - Carboxylic acid ester - Secondary amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylbenzamines. These are aromatic compounds consisting of a benzyl group that is N-linked to a benzamine. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2420367 | Certificate of Analysis | Mar 16, 2024 | A387504 |
| F2420373 | Certificate of Analysis | Mar 16, 2024 | A387504 |
| F2420394 | Certificate of Analysis | Mar 16, 2024 | A387504 |
| F2420404 | Certificate of Analysis | Mar 16, 2024 | A387504 |
| F2420446 | Certificate of Analysis | Mar 16, 2024 | A387504 |
| F2420448 | Certificate of Analysis | Mar 16, 2024 | A387504 |
| F2420449 | Certificate of Analysis | Mar 16, 2024 | A387504 |
| F2420474 | Certificate of Analysis | Mar 16, 2024 | A387504 |
| F2420490 | Certificate of Analysis | Mar 16, 2024 | A387504 |
| F2420493 | Certificate of Analysis | Mar 16, 2024 | A387504 |
| Solubility | DMSO or EtOH |
|---|---|
| Sensitivity | Hygroscopic |
| Molecular Weight | 393.500 g/mol |
| XLogP3 | 5.200 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 393.194 Da |
| Monoisotopic Mass | 393.194 Da |
| Topological Polar Surface Area | 78.800 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 558.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 |
