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MRS4162-BODIPY conjugate , CAS No.M612064, Agonist of P2Y 6 receptor
Basic Description
Synonyms
BODIPY 630/650 conjugate 28
Specifications & Purity
Moligand™
Grade
Moligand™
Action Type
AGONIST
Mechanism of action
Agonist of P2Y 6 receptor
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Nucleosides, nucleotides, and analogues
Class
Pyrimidine nucleotides
Subclass
Pyrimidine ribonucleotides
Intermediate Tree Nodes
Not available
Direct Parent
Pyrimidine ribonucleoside triphosphates
Alternative Parents
Pentose phosphates Glycosylamines Monosaccharide phosphates Styrenes Phenoxy compounds Phenol ethers Monoalkyl phosphates Pyrimidones Alkyl aryl ethers Substituted pyrroles N-acyl amines Imidolactams Hydropyrimidines Triazoles Thiophenes Heteroaromatic compounds Oxolanes 1,2-diols Secondary carboxylic acid amides Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic metalloid salts N-organohydroxylamines Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidine ribonucleoside triphosphate - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - Monosaccharide phosphate - Pentose monosaccharide - Phenoxy compound - Phenol ether - Styrene - Alkyl aryl ether - Pyrimidone - Monoalkyl phosphate - Phosphoric acid ester - Pyrimidine - Organic phosphoric acid derivative - N-acyl-amine - Monosaccharide - Hydropyrimidine - Fatty acyl - Imidolactam - Benzenoid - Monocyclic benzene moiety - Fatty amide - Alkyl phosphate - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Thiophene - Azole - 1,2,3-triazole - Oxolane - Carboxamide group - 1,2-diol - Secondary carboxylic acid amide - Secondary alcohol - Oxacycle - Azacycle - N-organohydroxylamine - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Organic metalloid salt - Organic 1,3-dipolar compound - Carbonyl group - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organic oxide - Hydrocarbon derivative - Alcohol - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidine ribonucleoside triphosphates. These are pyrimidine ribobucleotides with triphosphate group linked to the ribose moiety.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
INCHI
InChI=1S/C56H67BF2N11O20P3S/c58-57(59)69-41(16-17-42(69)33-43-18-23-46(70(43)57)48-8-5-32-94-48)15-10-39-13-21-45(22-14-39)84-36-51(72)61-26-3-1-2-9-50(71)60-27-6-29-67-34-40(64-66-67)24-28-62-52(73)37-85-44-19-11-38(12-20-44)7-4-31-86-65-49-25-30-68(56(76)63-49)55-54(75)53(74)47(88-55)35-87-92(80,81)90-93(82,83)89-91(77,78)79/h5,8,10-23,25,30,32-34,47,53-55,74-75H,1-4,6-7,9,24,26-29,31,35-37H2,(H,60,71)(H,61,72)(H,62,73)(H,80,81)(H,82,83)(H,63,65,76)(H2,77,78,79)/b15-10+/t47-,53-,54-,55-/m1/s1
InChIKey
IKFGJXBDIZQEHP-NJFIWEGUSA-N
Smiles
O=C(COc1ccc(cc1)CCCONc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O)NCCc1nnn(c1)CCCNC(=O)CCCCCNC(=O)COc1ccc(cc1)/C=C/c1ccc2n1[B-](F)(F)[N+]1=C(C=CC1=C2)c1cccs1
Isomeric SMILES
[B-]1(N2C(=CC=C2/C=C/C3=CC=C(C=C3)OCC(=O)NCCCCCC(=O)NCCCN4C=C(N=N4)CCNC(=O)COC5=CC=C(C=C5)CCCONC6=NC(=O)N(C=C6)[C@H]7[C@@H]([C@@H]([C@H](O7)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)C=C8[N+]1=C(C=C8)C9=CC=CS9)(F)F
PubChem CID
90656230
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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