≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
(Z)-Leukadherin-1 (ADH-503 free base) is an orally active and allosteric CD11b agonist. (Z)-Leukadherin-1 leads to the repolarization of tumor-associated macrophages, reduction in the number of tumor-infiltrating immunosuppressive myeloid cells, and enhances dendritic cell responses
In Vitro
(Z)-Leukadherin-1 (ADH-503 free base; 4 μM; 8 days) reduces the numbers of total tumor-infiltrating CD11b + cells and subsets of CD11b + monocytes, granulocytes, eosinophils, and macrophages. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
(Z)-Leukadherin-1 (ADH-503 free base; oral gavage; 30, 60, or 120 mg/kg; twice a day for 60 days) delayes tumor progression, leading to a significantly decreased tumor burden in time-point analysis and improved overall survival . (Z)-Leukadherin-1 (oral gavage; 30, 100 mg/kg; twice a day; on days 1 and 5) has the mean half-life of 4.68 and 3.95 hours, a maximum concentration of 1716 and 2594 ng/ml and AUC0-t in the plasma of 6950 and 13962 ng.h/ml at 30 and 100 mg/kg dosing, respectively . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: KPC mice [p48-CRE/Lox-stop-Lox(LSL)-Kras G12D /p53 flox/flox ] Dosage: 30, 60, or 120 mg/kg Administration: Oral gavage; 60 days Result: Delayed tumor progression, leading to a significantly decreased tumor burden in time-point analysis and improved overall survival. Animal Model: Male rats Dosage: 30, 100 mg/kg (Pharmacokinetic Analysis) Administration: Oral gavage twice a day; on days 1 and 5 Result: Had the mean half-life of 4.68 and 3.95 hours, a maximum concentration of 1716 and 2594 ng/ml and AUC0-t in the plasma of 6950 and 13962 ng.h/ml at 30 and 100 mg/kg dosing, respectively.
Form:Solid
IC50& Target:CD11b
| Canonical Smiles | C1=CC=C(C=C1)CN2C(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)C(=O)O)SC2=S |
|---|---|
| IUPAC Name | 4-[5-[(Z)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid |
| InChIKey | AEZGRQSLKVNPCI-UNOMPAQXSA-N |
| INCHI | 1S/C22H15NO4S2/c24-20-19(29-22(28)23(20)13-14-4-2-1-3-5-14)12-17-10-11-18(27-17)15-6-8-16(9-7-15)21(25)26/h1-12H,13H2,(H,25,26)/b19-12- |
| Isomeric SMILES | C1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)C(=O)O)/SC2=S |
| Alternate CAS | 2055362-72-4 |
| MeSH Entry Terms | leukadherin-1 |
| Molecular Weight | 421.49 |
| Reaxy-Rn | 28009878 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28009878&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 | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acids |
| Alternative Parents | Benzoyl derivatives Thiazolidinethiones Heteroaromatic compounds Furans Cyclic dithiocarbamic acid esters Oxacyclic compounds Carboxylic acids Azacyclic compounds Organosulfur compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzoic acid - Benzoyl - Thiazolidinethione - Cyclic dithiocarbamic acid ester - Furan - Thiazolidine - Dithiocarbamic acid ester - Heteroaromatic compound - Organoheterocyclic compound - Carboxylic acid - Azacycle - Oxacycle - Carboxylic acid derivative - Carbonyl group - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group. |
| External Descriptors | Not available |
| Solubility | DMSO : 4.55 mg/mL (10.80 mM; ultrasonic and warming and heat to 60°C) Methanol : <1 mg/mL (ultrasonic;warming;heat to 60°C) (insoluble) |
|---|---|
| Molecular Weight | 421.500 g/mol |
| XLogP3 | 4.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 421.044 Da |
| Monoisotopic Mass | 421.044 Da |
| Topological Polar Surface Area | 128.000 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 680.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
