IdCTP

Base Information

• Chemical Name: IdCTP
• CAS No.: 31747-59-8
• Molecular Formula: C9H15 I N3 O13 P3
• Molecular Weight: 680.980773
• European Community (EC) Number: 636-529-4
• DSSTox Substance ID: DTXSID80953681
• Nikkaji Number: J1.119.315C
• Wikidata: Q27159097
• Mol file: 31747-59-8.mol

Synonyms:5-iodocytosine deoxyribonucleoside triphosphate;IdCTP

Chemical Property of IdCTP

Chemical Property:

• Boiling Point: 822.9°Cat760mmHg
• Flash Point: 451.5°C
• PSA: 280.61000
• Density: 2.78g/cm³
• LogP: -0.23580
• Storage Temp.: −20°C
• XLogP3: -4.8
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 8
• Exact Mass: 592.88625
• Heavy Atom Count: 29
• Complexity: 873

Purity/Quality:

97% ^*data from raw suppliers

5-IODO-2'-DEOXY-CYTIDINE-5'-TRIPHOSPHATE SODIUM SALT 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 23/24/25-36/37/38
• Safety Statements: 22-26-36-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(OC1N2C=C(C(=NC2=O)N)I)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
• Isomeric SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)I)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

Technology Process of IdCTP

There total 4 articles about IdCTP 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: 76.0%

2'-deoxycytidine 5'-triphosphate (2056-98-6,92587-94-5) → 5-iodo-2′-deoxycytidine triphosphate (31747-59-8)

Guidance literature:

With N-iodo-succinimide; sodium azide; In water; for 15h; regioselective reaction;

DOI:10.1080/15257770.2014.978013

Reference yield: 54.0%

5-Iodo-2'-deoxycytidine (611-53-0) → 5-iodo-2′-deoxycytidine triphosphate (31747-59-8)

Guidance literature:

5-Iodo-2'-deoxycytidine; With trimethyl phosphite; trichlorophosphate; at 0 ℃; for 2h;

With tributyl-amine; tri-n-butylamine pyrophosphate; In N,N-dimethyl-formamide; at 0 ℃; for 1h;

DOI:10.1002/anie.200705088

Reference yield:

C9H13IN3O11P3 → 5-iodo-2′-deoxycytidine triphosphate (31747-59-8)

Guidance literature:

With iodine; In pyridine; water; N,N-dimethyl-formamide; at 23 ℃; for 2.25h; Inert atmosphere;

DOI:10.1021/jacs.8b04722

upstream raw materials:

5-Iodo-2'-deoxycytidine

2'-deoxycytidine 5'-triphosphate

Downstream raw materials:

5-(3-aminophenyl)-2'-deoxycytidine 5'-O-triphosphate

2'-deoxy-5-(3-nitrophenyl)cytidine 5'-O-triphosphate

Refernces

• 1、 Krause, André,Hertl, Alexander,Muttach, Fabian,J?schke, Andres. "Phosphine-Free Stille-Migita Chemistry for the Mild and Orthogonal Modification of DNA and RNA". . p. 16613 - 16619. Retrieved 2014.
• 2、 Simonova, Anna,Havran, Luděk,Pohl, Radek,Fojta, Miroslav,Hocek, Michal. "Phenothiazine-linked nucleosides and nucleotides for redox labelling of DNA". . p. 6984 - 6996. Retrieved 2017/09/01.