3-[4-[(4-amino-9,10-dioxo-3-sulfoanthracen-1-yl)amino]-n-(5-chloro-2,6-difluoropyrimidin-4-yl)anilino]propanoic acid (CHEM341647)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 08:43:59 UTC | ||||||||
| Update Date | 2026-08-31 08:43:59 UTC | ||||||||
| Accession Number | CHEM341647 | ||||||||
| Identification | |||||||||
| Common Name | 3-[4-[(4-amino-9,10-dioxo-3-sulfoanthracen-1-yl)amino]-n-(5-chloro-2,6-difluoropyrimidin-4-yl)anilino]propanoic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 3-[4-[(4-amino-9,10-dioxo-3-sulfoanthracen-1-yl)amino]-n-(5-chloro-2,6-difluoropyrimidin-4-yl)anilino]propanoic acid is a chemical compound with the formula C27H18ClF2N5O7S. With an average molecular weight of 630.00 g/mol, 3-[4-[(4-amino-9,10-dioxo-3-sulfoanthracen-1-yl)amino]-n-(5-chloro-2,6-difluoropyrimidin-4-yl)anilino]propanoic acid is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C27H18ClF2N5O7S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 629.058 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 3-[4-[(4-amino-9,10-dioxo-3-sulfoanthracen-1-yl)amino]-n-(5-chloro-2,6-difluoropyrimidin-4-yl)anilino]propanoic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)N(CCC(=O)O)C5=C(C(=NC(=N5)F)F)Cl)S(=O)(=O)O)N | ||||||||
| InChI Identifier | InChI=1S/C27H18ClF2N5O7S/c28-21-25(29)33-27(30)34-26(21)35(10-9-18(36)37)13-7-5-12(6-8-13)32-16-11-17(43(40,41)42)22(31)20-19(16)23(38)14-3-1-2-4-15(14)24(20)39/h1-8,11,32H,9-10,31H2,(H,36,37)(H,40,41,42) | ||||||||
| InChI Key | HPAYCMXRVBKEQU-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
