RI-1 - ≥98% , CAS No.415713-60-9

CAS: 415713-60-9 Cat. No.: R125517 Formula: C₁₄H₁₁Cl₃N₂O₃ Peso molecolare: 361.61 PubChem CID: 1074953

QUALITÀ & PUREZZA ≥98%

Synonyms

Q18392915 | HY-15317 | STL503566 | NCGC00371132-01 | RI1 | RI-1 | RI-1 (chemical) | RAD51 inhibitor 1 | UNII-S8WG8ZRQ99 | cid_1074953 | SW219349-1 | 3-chloro-1-(3,4-dichlorophenyl)-4-(4-morpholinyl)-1H-pyrrole-2,5-dione | N-(4-Hydroxy-3-methoxybenzyl)octa

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

RI-1 is a RAD51 inhibitor with IC50 ranging from 5 to 30 μM.

Specifiche

Sinonimi

Q18392915 | HY-15317 | STL503566 | NCGC00371132-01 | RI1 | RI-1 | RI-1 (chemical) | RAD51 inhibitor 1 | UNII-S8WG8ZRQ99 | cid_1074953 | SW219349-1 | 3-chloro-1-(3,4-dichlorophenyl)-4-(4-morpholinyl)-1H-pyrrole-2,5-dione | N-(4-Hydroxy-3-methoxybenzyl)octa

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

RAD51 inhibitor. Inhibits homologous recombination and formation of subnuclear RAD51 foci in cells following DNA damage. Antitumor agent. Active in vitro .

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

528766882

Sorrisi canonici

C1COCCN1C2=C(C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)Cl)Cl

IUPAC Name

3-chloro-1-(3,4-dichlorophenyl)-4-morpholin-4-ylpyrrole-2,5-dione

InChIKey

MWSUIZKGNWELRF-UHFFFAOYSA-N

INCHI

1S/C14H11Cl3N2O3/c15-9-2-1-8(7-10(9)16)19-13(20)11(17)12(14(19)21)18-3-5-22-6-4-18/h1-2,7H,3-6H2

Isomeri SMILES

C1COCCN1C2=C(C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)Cl)Cl

PubChem CID

1074953

Peso molecolare

361.61

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyrrolines
      • Subclass Phenylpyrrolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyrrolines
• Subclass: Phenylpyrrolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrrolines
• Alternative Parents: Alpha amino acids and derivatives Dichlorobenzenes Maleimides Aryl chlorides N-substituted carboxylic acid imides Morpholines Vinylogous halides Vinylogous amides Pyrroles Dicarboximides Trialkylamines Vinyl chlorides Oxacyclic compounds Azacyclic compounds Chloroalkenes Dialkyl ethers Enamines Organopnictogen compounds Organochlorides Carbonyl compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1-phenylpyrroline - Alpha-amino acid or derivatives - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Maleimide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Morpholine - Carboxylic acid imide, n-substituted - Oxazinane - Benzenoid - Dicarboximide - Carboxylic acid imide - Vinylogous halide - Vinylogous amide - Pyrrole - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Azacycle - Chloroalkene - Haloalkene - Ether - Enamine - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Vinyl chloride - Vinyl halide - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylpyrrolines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrroline ring through a CC or CN bond.
• 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.

DOI: 10.1186/s13321-016-0174-y

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Discover Target: RAD51

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Discover Target: RAD1

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: DMSO 50 mg/mL;Water <1 mg/mL; EtOH <1 mg/mL
• Peso molecolare: 361.600 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 359.984 Da
• Monoisotopic Mass: 359.984 Da
• Topological Polar Surface Area: 49.900 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 519.000
• 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