SCR7 pyrazine

Base Information

• Chemical Name: SCR7 pyrazine
• CAS No.: 14892-97-8
• Molecular Formula: C18H12N4OS
• Molecular Weight: 332.37900
• DSSTox Substance ID: DTXSID90443563
• Nikkaji Number: J3.615.179J
• Wikidata: Q82261450
• Mol file: 14892-97-8.mol

Synonyms:SCR7 pyrazine;14892-97-8;SCR7Pyrazine;6,7-diphenyl-2-sulfanylpteridin-4-ol;6,7-diphenyl-2-sulfanylidene-1H-pteridin-4-one;2,3-Dihydro-6,7-diphenyl-2-thioxo-4(1H)-pteridinone;Oprea1_571617;6,7-diphenyl-2-thioxo-2,3-dihydropteridin-4(1H)-one;SCR 7 pyrazine;2-mercapto-6,7-diphenylpteridin-4-ol;SCHEMBL20798351;DTXSID90443563;BCP15222;MFCD02167478;s7742;SCR7 pyrazine, >=98% (HPLC);AKOS025404699;AKOS037653032;CCG-267832;GM-0028;HY-107845;6,7-diphenyl-2-sulfanyl-3H-pteridin-4-one;C3577;CS-0030726;J3.615.179J;C72835;2-Thioxo-6,7-diphenyl-1,2-dihydropteridine-4(3H)-one;Z3244609139

Chemical Property of SCR7 pyrazine

Chemical Property:

• Melting Point: 209 °C
• PKA: 4.14±0.60(Predicted)
• PSA: 110.59000
• Density: 1.42±0.1 g/cm3(Predicted)
• LogP: 3.74810
• Storage Temp.: room temp
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 332.07318219
• Heavy Atom Count: 24
• Complexity: 487

Purity/Quality:

98%,99%, ^*data from raw suppliers

SCR7 Pyrazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC3=C(NC(=S)NC3=O)N=C2C4=CC=CC=C4
• Uses: SCR7 pyrazine has been used as a non-homologous end joining (NHEJ) modulator to study its effect on CRISPR/Cas9-mediated editing.

Technology Process of SCR7 pyrazine

There total 8 articles about SCR7 pyrazine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 94.22%

4,5-diamino-6-hydroxy-2-thiopyrimidine (1004-76-8) + benzil (134-81-6) → 2-mercapto-6,7-bisphenylpteridin-4-one (14892-97-8)

Guidance literature:

With sodium acetate; In neat (no solvent); at 120 ℃; for 0.2h; Reagent/catalyst; Microwave irradiation;

DOI:10.1111/cbdd.12207

Reference yield: 80.0%

6,7-diphenyl-2-thioxo-7,8-dihydropteridin-4-one → 6,7-diphenyl-1,2-dihydro-2-thioxopteridin-4(3H)-one (14892-97-8)

Guidance literature:

With nitrobenzene; for 24h; Reflux;

DOI:10.1111/febs.14661

Reference yield: 39.0%

benzaldehyde (100-52-7) + 4,5-diamino-6-hydroxy-2-thiopyrimidine (1004-76-8) → 6,7-diphenyl-1,2-dihydro-2-thioxopteridin-4(3H)-one (14892-97-8)

Guidance literature:

With acetic acid; In N,N-dimethyl-formamide; for 3h; Reflux;

DOI:10.1016/j.tetlet.2016.06.037

upstream raw materials:

5,6-diamino-2-thioxo-2,3-dihydropyrimidin-4(1H)-one

benzil

4,5-diamino-6-hydroxy-2-thiopyrimidine

benzaldehyde

Downstream raw materials:

2,3-diphenyl-8,9-dihydro-7H-[1,3]thiazino[2,3-b]pteridin-11-one

2,3-diphenyl-7,8-dihydro-thiazolo[2,3-b]pteridin-10-one

6,7-diphenylpteridine-2,4(1H,3H)-dione

Refernces

• 1、 Vartak, Supriya V.,Swarup, Hassan A.,Gopalakrishnan, Vidya,Gopinatha, Vindya K.,Ropars, Virginie,Nambiar, Mridula,John, Franklin,Kothanahally, Sharath Kumar S.,Kumari, Rupa,Kumari, Nitu,Ray, Ujjayinee,Radha, Gudapureddy,Dinesh, Depina,Pandey, Monica,Ananda, Hanumappa,Karki, Subhas S.,Srivastava, Mrinal,Charbonnier, Jean Baptiste,Choudhary, Bibha,Mantelingu, Kempegowda,Raghavan, Sathees C.. "Autocyclized and oxidized forms of SCR7 induce cancer cell death by inhibiting nonhomologous DNA end joining in a Ligase IV dependent manner". . p. 3959 - 3976. Retrieved 2018.
• 2、 Bhatt, Hardik,Patel, Paresh,Pannecouque, Christophe. "Discovery of HIV-1 integrase inhibitors: Pharmacophore mapping, virtual screening, molecular docking, synthesis, and biological evaluation". . p. 154 - 166. Retrieved 2014/02/14.