AB-Meca

Base Information

Chemical Name:AB-Meca
CAS No.:152918-26-8
Molecular Formula:C₁₈H₂₁N₇O₄
Molecular Weight:399.409
Hs Code.:
DSSTox Substance ID:DTXSID70415501
Nikkaji Number:J584.725G
Wikidata:Q27074104
Pharos Ligand ID:U14N4MTZZHZZ
Mol file:152918-26-8.mol

Synonyms:AB-MECA;N(6)-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide

Suppliers and Price of AB-Meca

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
Packaging
price

TRC
AB-MECA
1mg
$ 70.00

Sigma-Aldrich
AB-MECA solid
1mg
$ 102.00

Sigma-Aldrich
AB-MECA solid
5mg
$ 342.00

DC Chemicals
AB-MECA >98%
250 mg
$ 2160.00

DC Chemicals
AB-MECA >98%
100 mg
$ 1200.00

Crysdot
AB-MECA 98+%
5mg
$ 166.00

ChemScene
AB-MECA 99.10%
1mg
$ 72.00

ChemScene
AB-MECA 99.10%
5mg
$ 288.00

Cayman Chemical
AB-MECA
10mg
$ 472.00

Cayman Chemical
AB-MECA
5mg
$ 266.00

Total 12 raw suppliers

Chemical Property of AB-Meca

Chemical Property:

Refractive Index:1.789
PKA:12.72±0.70(Predicted)
PSA：163.93000
Density:1.68g/cm³
LogP:0.88030
Storage Temp.:−20°C
Solubility.:45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: soluble0.3mg/mL
XLogP3:-0.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:399.16550218
Heavy Atom Count:29
Complexity:576

Purity/Quality:

97% ^*data from raw suppliers

AB-MECA ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CNC(=O)C1C(C(C(O1)N2C=NC3=C(N=CN=C32)NCC4=CC=C(C=C4)N)O)O
Isomeric SMILES:CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NCC4=CC=C(C=C4)N)O)O

Technology Process of AB-Meca

There total 5 articles about AB-Meca 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:

: 1054619-83-8
(3aS,4S,6R,6aR)-6-[6-(4-Amino-benzylamino)-purin-9-yl]-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxole-4-carboxylic acid methylamide

: 152918-26-8
[125I]-AB-MECA

Guidance literature:: With hydrogenchloride; at 60 ℃; for 4h; Yield given;
DOI:10.1021/jm00031a014

Reference yield:

: 140401-57-6
4-(aminomethyl)aniline monohydrochloride

: 152918-26-8
[125I]-AB-MECA

Guidance literature:: Multi-step reaction with 2 steps

1: Et₃N / ethanol / 16 h / 75 °C

2: 1N HCl / 4 h / 60 °C

With hydrogenchloride; triethylamine; In ethanol;
DOI:10.1021/jm00031a014

Reference yield:

: 104940-65-0
1'-deoxy-1'-(6-chloro-9H-purin-9-yl)2',3'-O-isopropylidene-β-D-ribofuranosyl chloride

: 152918-26-8
[125I]-AB-MECA

Guidance literature:: Multi-step reaction with 3 steps

1: CHCl₃ / 0.25 h / 10 °C

2: Et₃N / ethanol / 16 h / 75 °C

3: 1N HCl / 4 h / 60 °C

With hydrogenchloride; triethylamine; In ethanol; chloroform;
DOI:10.1021/jm00031a014