JH2L6G2J82

Base Information

Chemical Name:JH2L6G2J82
CAS No.:162684-35-7
Molecular Formula:C₂₀H₂₁ClN₆O₄S₂
Molecular Weight:509.01
Hs Code.:
UNII:JH2L6G2J82
Nikkaji Number:J955.146H
ChEMBL ID:CHEMBL2112564

Synonyms:NNC-21-0136;JH2L6G2J82;NNC21-0136;2-Chloro-N6-(2-(2-benzothiazolylsulfanyl)-1(R)-methylethyl)adenosine;N-((1R)-2-(2-Benzothiazolylthio)-1-methylethyl)-2-chloroadenosine;Adenosine, N-((1R)-2-(2-benzothiazolylthio)-1-methylethyl)-2-chloro-;Adenosine, N-(2-(2-benzothiazolylthio)-1-methylethyl)-2-chloro-, (R)-;(2R,3R,4S,5R)-2-(6-(((2R)-1-(1,3-Benzothiazol-2-ylsulfanyl)propan-2-yl)amino)-2-chloro-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;162684-35-7;UNII-JH2L6G2J82;SCHEMBL2031308;CHEMBL2112564;VFEGXMIJIICQBD-SRNJXLPISA-N;2-chloro-N-[r-(2-benzothiazolyl)thio-2-propyl]adenosine;2-chloro-N-[(R)-1-(2-benzothiazolyl)thio-2-propyl]adenosine;N-[(R)-1-(2-benzothiazolyl)thio-2-propyl]-2-chloroadenosine

Suppliers and Price of JH2L6G2J82

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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Total 0 raw suppliers

Chemical Property of JH2L6G2J82

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:7
Exact Mass:508.0754232
Heavy Atom Count:33
Complexity:676

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(CSC1=NC2=CC=CC=C2S1)NC3=C4C(=NC(=N3)Cl)N(C=N4)C5C(C(C(O5)CO)O)O
Isomeric SMILES:C[C@H](CSC1=NC2=CC=CC=C2S1)NC3=C4C(=NC(=N3)Cl)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O

Technology Process of JH2L6G2J82

There total 5 articles about JH2L6G2J82 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: 89.0%

: 2',3',5'-tri-O-acetyl-2-chloro-N-[(R)-1-[(2-benzothiazolyl)thio]-2-propyl]adenosine

: 162684-35-7
NNC 21-0136

Guidance literature:: With sodium methylate; at 20 ℃; for 2h;
DOI:10.1021/jm960682u

Reference yield: 24.0%

: 15373-23-6,339091-08-6
(2R,3R,4R,5R)-2-((benzoyloxy)methyl)-5-(2,6-dichloro-9H-purin-9-yl)tetrahydrofuran-3,4-diyl dibenzoate

: 162684-73-3
2',3',5'-tri-O-benzoyl-2-chloro-N-[(R)-1-(2-benzothiazolyl)thio-2-propyl]adenosine

: 79069-13-9,127516-56-7,147252-84-4,106391-86-0
(R)-2-tertbutoxycarbonylamino-1-propanol

: 149-30-4,118090-09-8
2-Mercaptobenzothiazole

: 2-[(R)-2-amino-1-propylthio]benzothiazole hydrochloride

: 162684-35-7
NNC 21-0136

Guidance literature:: In methanolic ammonia;

Reference yield:

: 3056-18-6
(2R,3R,4R,5R)-4-(acetyloxy)-2-[(acetyloxy)methyl]-5-(2,6-dichloro-9H-purin-9-yl)tetrahydro-3-furanyl acetate

: 162684-35-7
NNC 21-0136

Guidance literature:: Multi-step reaction with 2 steps

1: 86 percent / Et₃N / dioxane / 40 h / 20 °C

2: 89 percent / NaOMe / 2 h / 20 °C

With sodium methylate; triethylamine; In 1,4-dioxane; 1: Substitution / 2: Deacetylation;
DOI:10.1021/jm960682u