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Pelcitoclax - 95%, high purity , CAS No.1619923-36-2
Basic Description
Synonyms
APG1252 | APG-1252 | SCHEMBL15872908 | NSC835773 | NSC-835773 | CS-0116458 | AKOS040755512 | Pelcitoclax | 1619923-36-2 | (R)-3-(1-(3-(4-(N-(4-(4-(3-(2-(4-chlorophenyl)-1-isopropyl-5-methyl-4-(methylsulfonyl)-1H-pyrrol-3-yl)-5-fluorophenyl)piperazin-1-yl)
Specifications & Purity
≥95%
Biochemical and Physiological Mechanisms
Pelcitoclax (APG-1252) is a potent Bcl-2/Bcl-xl inhibitor with antineoplastic and pro-apoptotic effects.
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Pelcitoclax (APG-1252) is a potent Bcl-2/Bcl-xl inhibitor with antineoplastic and pro-apoptotic effects.
In Vitro
APG-1252 changes to the reactive metabolite named APG-1252-M1, which has remarkable antitumor effects in acute myeloid leukemia. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
Pelcitoclax (APG-1252; 25-100 mg/kg; i.v.; once a day; for 10 days) treatment inhibits xenograft tumor growth more obviously than the other groups . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: BALB/c athymic nude mice (male, 4-6weeks) injected with N87 cells Dosage: 25 mg/kg, 50 mg/kg, and 100 mg/kg Administration: Intravenous injection; once a day; for 10 days Result: Inhibited xenograft tumor growth more obviously than the other groups.
Form:Solid
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroles
Subclass
Substituted pyrroles
Intermediate Tree Nodes
Phenylpyrroles
Direct Parent
Diphenylpyrroles
Alternative Parents
N-arylpiperazines Phenylpiperazines Aminobenzenesulfonamides Sulfanilides Benzenesulfonyl compounds Piperidinecarboxylic acids Dialkylarylamines Thiophenol ethers Aniline and substituted anilines Phenylalkylamines Chlorobenzenes Fluorobenzenes Alkylarylthioethers Secondary alkylarylamines Aryl chlorides Aryl fluorides Organosulfonamides Organic phosphonic acids Sulfones Heteroaromatic compounds Aminosulfonyl compounds Trihalomethanes Carboxylic acid esters Trialkylamines Amino acids and derivatives Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Alkyl fluorides Organic oxides Organochlorides Organofluorides Hydrocarbon derivatives Organophosphorus compounds Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2,3-diphenylpyrrole - Phenylpiperazine - N-arylpiperazine - Aminobenzenesulfonamide - Benzenesulfonamide - Sulfanilide - Benzenesulfonyl group - Piperidinecarboxylic acid - Aryl thioether - Phenylalkylamine - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Thiophenol ether - Chlorobenzene - Fluorobenzene - Halobenzene - Alkylarylthioether - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Piperidine - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfone - Heteroaromatic compound - Organophosphonic acid - Organophosphonic acid derivative - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Trihalomethane - Sulfenyl compound - Thioether - Secondary amine - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organochloride - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organophosphorus compound - Alkyl halide - Carbonyl group - Halomethane - Organosulfur compound - Alkyl fluoride - Organic oxide - Organonitrogen compound - Organic oxygen compound - Amine - Organohalogen compound - Organofluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as diphenylpyrroles. These are aromatic heterocyclic compounds with a structure based on a pyrrole ring linked to exactly two phenyl groups.
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
IUPAC Name
3-[1-[(3R)-3-[4-[[4-[4-[3-[2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl]-5-fluorophenyl]piperazin-1-yl]phenyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperidine-4-carbonyl]oxypropylphosphonic acid
INCHI
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
InChIKey
QIOCQCYXBYUYLH-YACUFSJGSA-N
Smiles
CC1=C(C(=C(N1C(C)C)C2=CC=C(C=C2)Cl)C3=CC(=CC(=C3)F)N4CCN(CC4)C5=CC=C(C=C5)NS(=O)(=O)C6=CC(=C(C=C6)NC(CCN7CCC(CC7)C(=O)OCCCP(=O)(O)O)CSC8=CC=CC=C8)S(=O)(=O)C(F)(F)F)S(=O)(=O)C
Isomeric SMILES
CC1=C(C(=C(N1C(C)C)C2=CC=C(C=C2)Cl)C3=CC(=CC(=C3)F)N4CCN(CC4)C5=CC=C(C=C5)NS(=O)(=O)C6=CC(=C(C=C6)N[C@H](CCN7CCC(CC7)C(=O)OCCCP(=O)(O)O)CSC8=CC=CC=C8)S(=O)(=O)C(F)(F)F)S(=O)(=O)C
Alternate CAS
1619923-36-2
PubChem CID
76900653
MeSH Entry Terms
3-(1-((3R)-3-(4-((4-(4-(3-(2-(4-chlorophenyl)-5-methyl-4-methylsulfonyl-1-propan-2-ylpyrrol-3-yl)-5-fluorophenyl)piperazin-1-yl)phenyl)sulfamoyl)-2-(trifluoromethylsulfonyl)anilino)-4-phenylsulfanylbutyl)piperidine-4-carbonyl)oxypropylphosphonic acid;APG
Molecular Weight
1281.85
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
DMSO : 200 mg/mL (156.02 mM; Need ultrasonic)
Molecular Weight
1281.900 g/mol
XLogP3
7.500
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
21
Rotatable Bond Count
24
Exact Mass
1280.3 Da
Monoisotopic Mass
1280.3 Da
Topological Polar Surface Area
275.000 Ų
Heavy Atom Count
84
Formal Charge
0
Complexity
2490.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
1
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
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