Pelcitoclax (CHEM133735)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-14 20:43:13 UTC | ||||||||
| Update Date | 2026-05-14 19:57:16 UTC | ||||||||
| Accession Number | CHEM133735 | ||||||||
| Identification | |||||||||
| Common Name | Pelcitoclax | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C57H66ClF4N6O11PS4 | ||||||||
| Average Molecular Mass | 1281.840 g/mol | ||||||||
| Monoisotopic Mass | 1280.303 g/mol | ||||||||
| CAS Registry Number | 1619923-36-2 | ||||||||
| IUPAC Name | (3-{1-[(3R)-3-[(4-{[4-(4-{3-[2-(4-chlorophenyl)-4-methanesulfonyl-5-methyl-1-(propan-2-yl)-1H-pyrrol-3-yl]-5-fluorophenyl}piperazin-1-yl)phenyl]sulfamoyl}-2-trifluoromethanesulfonylphenyl)amino]-4-(phenylsulfanyl)butyl]piperidine-4-carbonyloxy}propyl)phosphonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(C)N1C(C)=C(C(=C1C1=CC=C(Cl)C=C1)C1=CC(=CC(F)=C1)N1CCN(CC1)C1=CC=C(NS(=O)(=O)C2=CC=C(N[C@H](CCN3CCC(CC3)C(=O)OCCCP(O)(O)=O)CSC3=CC=CC=C3)C(=C2)S(=O)(=O)C(F)(F)F)C=C1)S(C)(=O)=O | ||||||||
| InChI Identifier | InChI=1S/C57H66ClF4N6O11PS4/c1-38(2)68-39(3)55(82(4,73)74)53(54(68)40-11-13-43(58)14-12-40)42-33-44(59)35-48(34-42)67-29-27-66(28-30-67)47-17-15-45(16-18-47)64-84(77,78)50-19-20-51(52(36-50)83(75,76)57(60,61)62)63-46(37-81-49-9-6-5-7-10-49)23-26-65-24-21-41(22-25-65)56(69)79-31-8-32-80(70,71)72/h5-7,9-20,33-36,38,41,46,63-64H,8,21-32,37H2,1-4H3,(H2,70,71,72)/t46-/m1/s1 | ||||||||
| InChI Key | QIOCQCYXBYUYLH-YACUFSJGSA-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 | ||||||||
