RI-1 - ≥98% , CAS No.415713-60-9

CAS: 415713-60-9 Cat. No.: R125517 Peso molecular: 361.61 PubChem CID: 1074953

GRADE & PURITY ≥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

Descripción general

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

Specifications

Sinónimos

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

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

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

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

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.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: C1COCCN1C2=C(C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)Cl)Cl
• PubChem CID: 1074953
• Peso molecular: 361.61

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

BCL2A1 Tchem Bcl-2-related protein A1 (2 Activities)

Discover Target: BCL2A1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

GAPDH Tchem Glyceraldehyde-3-phosphate dehydrogenase liver (1284 Activities)

Discover Target: GAPDH

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HEK293 (82097 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BCL2A1 Tchem Bcl-2-related protein A1 (291 Activities)

Discover Target: BCL2A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RAD51 Tchem DNA repair protein RAD51 homolog 1 (504 Activities)

Discover Target: RAD51

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RAD1 Tchem Cell cycle checkpoint protein RAD1 (6 Activities)

Discover Target: RAD1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SARS-CoV-2 (38078 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO 50 mg/mL;Water <1 mg/mL; EtOH <1 mg/mL
• Peso molecular: 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