2mM 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
MKC8866 MKC8866 (IRE1-IN-8866), a salicylaldehyde analog, is a specific IRE1α RNase inhibitor with IC50 of 0.29 μM for human IRE1α in vitro.
Targets
hIRE1α (Cell-free assay) 0.29 μM
In vitro
MKC8866 is optimized and refined from a family of IRE1α-specific endoribonuclease inhibitors obtained from a chemical library screen. MKC8866 effectively represses IRE1α-mediated XBP1 splicing in PCa cells and has favorable pharmacokinetic and pharmacodynamic properties.
In vivo
MKC8866 is an IRE1α RNase-specific inhibitor molecule that displays significant therapeutic activity in various preclinical models of PCa in vivo. MKC8866 synergizes with clinical PCa drugs in vivo.
Cell Research(from reference)
Cell lines：human PCa cell lines LNCaP and 22Rv1, VCaP cell line, C4-2B cell line
Concentrations：0.2-10 μM
Incubation Time：0.25-24 h
| ALogP | 0.943 |
|---|---|
| hba_count | 6 |
| HBD 수 | 1 |
| 회전 가능한 결합 | 4 |
| Pubchem Sid | 528765486 |
|---|---|
| 정식 스마일 | CC1=C(C(=O)OC2=C(C(=C(C=C12)OC)O)C=O)CC(=O)N3CCOCC3 |
| IUPAC Name | 7-hydroxy-6-methoxy-4-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-2-oxochromene-8-carbaldehyde |
| InChIKey | IFDGMRMUJYGWQQ-UHFFFAOYSA-N |
| INCHI | 1S/C18H19NO7/c1-10-11-7-14(24-2)16(22)13(9-20)17(11)26-18(23)12(10)8-15(21)19-3-5-25-6-4-19/h7,9,22H,3-6,8H2,1-2H3 |
| 이성체 SMILES | CC1=C(C(=O)OC2=C(C(=C(C=C12)OC)O)C=O)CC(=O)N3CCOCC3 |
| 분자량 | 361.35 |
| Reaxy-Rn | 25197219 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25197219&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 | Phenylpropanoids and polyketides |
| 분류 | Coumarins and derivatives |
| Subclass | Hydroxycoumarins |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 7-hydroxycoumarins |
| Alternative Parents | 1-benzopyrans Anisoles Pyranones and derivatives Phenols Alkyl aryl ethers Aryl-aldehydes Morpholines Vinylogous acids Tertiary carboxylic acid amides Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organonitrogen compounds Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 7-hydroxycoumarin - Benzopyran - 1-benzopyran - Anisole - Phenol ether - Alkyl aryl ether - Phenol - Pyranone - Aryl-aldehyde - Morpholine - Oxazinane - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous acid - Tertiary carboxylic acid amide - Carboxamide group - Lactone - Azacycle - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Dialkyl ether - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aldehyde - Aromatic heteropolycyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as 7-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton. |
| External Descriptors | Not available |
| DMSO(mg/mL) 최대 용해도 | 3 |
|---|---|
| DMSO(mM) 최대 용해도 | 8.302200083022 |
| 물(mg/mL) 최대 용해도 | ˂1 |
| 분자량 | 361.300 g/mol |
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 361.116 Da |
| Monoisotopic Mass | 361.116 Da |
| Topological Polar Surface Area | 102.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 611.000 |
| 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 |
