SCR7 , CAS No.1533426-72-0

CAS: 1533426-72-0 Cat. No.: S649471 Formula: C₁₈H₁₄N₄OS Molecular Weight: 334.39 EC Number: 806-149-5 PubChem CID: 72708496

GRADE & PURITY Moligand™, ≥95%

Synonyms

AKOS025396419 | 4(1H)-Pyrimidinone, 2,3-dihydro-5,6-bis[(phenylmethylene)amino]-2-thioxo- | EX-A1751 | SCR7 | 2,3-Dihydro-5,6-bis[(E)-(phenylmethylene)amino]-2-thioxo-4(1H)-pyrimidinone | AC-35332 | 7-Benzyl-4-(2-methylbenzyl)-2,4,6,7,8,9-hexahydroimidazo

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

SCR7 is a specific inhibitor of DNA ligase IV, which blocks non-homologous end joining (NHEJ). It exists in an unstable form and can spontaneously cyclize to form the stable SCR7 pyrazine. It also acts as an enhancer for CRISPR/Cas9, improving the efficiency of Cas9-mediated homology-directed repair (HDR). It induces apoptosis and exhibits anticancer activity. For research use only.

Specifications

Synonyms

AKOS025396419 | 4(1H)-Pyrimidinone, 2,3-dihydro-5,6-bis[(phenylmethylene)amino]-2-thioxo- | EX-A1751 | SCR7 | 2,3-Dihydro-5,6-bis[(E)-(phenylmethylene)amino]-2-thioxo-4(1H)-pyrimidinone | AC-35332 | 7-Benzyl-4-(2-methylbenzyl)-2,4,6,7,8,9-hexahydroimidazo

Specifications & Purity

Moligand™, ≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)C=NC2=C(NC(=S)NC2=O)N=CC3=CC=CC=C3
• IUPAC Name: 5-(benzylideneamino)-6-[(E)-benzylideneamino]-2-sulfanylidene-1H-pyrimidin-4-one
• InChIKey: NEEVCWPRIZJJRJ-LWRDCAMISA-N
• INCHI: 1S/C18H14N4OS/c23-17-15(19-11-13-7-3-1-4-8-13)16(21-18(24)22-17)20-12-14-9-5-2-6-10-14/h1-12H,(H2,21,22,23,24)/b19-11?,20-12+
• Isomeric SMILES: C1=CC=C(C=C1)C=NC2=C(NC(=S)NC2=O)/N=C/C3=CC=CC=C3
• Alternate CAS: 1417353-16-2
• PubChem CID: 72708496
• Molecular Weight: 334.39

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidones
• Alternative Parents: Pyrimidinethiones 2-Thiopyrimidines Hydropyrimidines Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Thioureas Shiff bases Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactam - Shiff base - Thiourea - Aldimine - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Imine - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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

Chemical and Physical Properties

• Solubility: Solubility：DMSO
• Molecular Weight: 334.400 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 334.089 Da
• Monoisotopic Mass: 334.089 Da
• Topological Polar Surface Area: 97.900 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 570.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1