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Basic Description
| Synonyms | 6616-56-4 | MSX-127 | Hydroquinone, 2,5-bis(morpholinomethyl)- | 2,5-bis(morpholin-4-ylmethyl)benzene-1,4-diol | 2,5-bis(morpholinomethyl)benzene-1,4-diol | NSC-23026 | 2,5-Bis(morpholinomethyl)hydroquinone | 2,5-bis-(morpholinomethyl)-hydroquinone | 2,5-Bis[(morpholin-4 |
|---|---|
| Specifications & Purity | 10mM in DMSO |
| Biochemical and Physiological Mechanisms | MSX-127 (NSC-23026) is a C-X-C chemokine receptor type 4 (CXCR4) receptor antagonist. |
| Storage Temp | Store at -80°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
| Product Description |
Information MSX-127 MSX-127 (NSC-23026) is a C-X-C chemokine receptor type 4 (CXCR4) receptor antagonist. Targets CXCR4 |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Phenols
- Subclass Benzenediols
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Class
Phenols
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenols |
| Subclass | Benzenediols |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hydroquinones |
| Alternative Parents | Phenylmethylamines Benzylamines Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Morpholines Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzylamine - Hydroquinone - Phenylmethylamine - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Monocyclic benzene moiety - Morpholine - Oxazinane - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as hydroquinones. These are compounds containing a hydroquinone moiety, which consists of a benzene ring with a hydroxyl groups at positions 1 and 4. |
| External Descriptors | Not available |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| IUPAC Name | 2,5-bis(morpholin-4-ylmethyl)benzene-1,4-diol |
|---|---|
| INCHI | InChI=1S/C16H24N2O4/c19-15-10-14(12-18-3-7-22-8-4-18)16(20)9-13(15)11-17-1-5-21-6-2-17/h9-10,19-20H,1-8,11-12H2 |
| InChIKey | DGGCIZWVIVXHFR-UHFFFAOYSA-N |
| Smiles | C1COCCN1CC2=CC(=C(C=C2O)CN3CCOCC3)O |
| Isomeric SMILES | C1COCCN1CC2=CC(=C(C=C2O)CN3CCOCC3)O |
| Molecular Weight | 308.37 |
| Reaxy-Rn | 284667 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=284667&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 308.370 g/mol |
|---|---|
| XLogP3 | 0.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 308.174 Da |
| Monoisotopic Mass | 308.174 Da |
| Topological Polar Surface Area | 65.400 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 300.000 |
| 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 |
Solution Calculators
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