(2R,2'R,3S,3'S,4R,4'R)-2,2'-(4,4'-(4,4'-(2,2'-(2,2'-(4,4'-(2-amino-2-(((1-(2-(2-(4-(1-(((2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl)methyl)-1H-1,2,3-triazol-4-yl)phenoxy)ethoxy)ethyl)-1H-1,2,3-triazol-4-yl)methoxy)methyl)propane-1,3-diyl)bis(oxy)bis(methylene)bis(1H-1,2,3-triazole-4,1-diyl))bis(ethane-2,1-diyl))bis(oxy)bis(ethane-2,1-diyl))bis(oxy)bis(4,1-phenylene))bis(1H-1,2,3-triazole-4,1-diyl))bis(methylene)dipyrrolidine-3,4-diol

ID: ALA4793871

Chembl Id: CHEMBL4793871

PubChem CID: 162673287

Max Phase: Preclinical

Molecular Formula: C64H86N22O15

Molecular Weight: 1403.53

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  NC(COCc1cn(CCOCCOc2ccc(-c3cn(C[C@H]4NC[C@@H](O)[C@H]4O)nn3)cc2)nn1)(COCc1cn(CCOCCOc2ccc(-c3cn(C[C@H]4NC[C@@H](O)[C@H]4O)nn3)cc2)nn1)COCc1cn(CCOCCOc2ccc(-c3cn(C[C@H]4NC[C@@H](O)[C@H]4O)nn3)cc2)nn1

Standard InChI:  InChI=1S/C64H86N22O15/c65-64(40-96-37-46-28-81(75-69-46)13-16-93-19-22-99-49-7-1-43(2-8-49)52-31-84(78-72-52)34-55-61(90)58(87)25-66-55,41-97-38-47-29-82(76-70-47)14-17-94-20-23-100-50-9-3-44(4-10-50)53-32-85(79-73-53)35-56-62(91)59(88)26-67-56)42-98-39-48-30-83(77-71-48)15-18-95-21-24-101-51-11-5-45(6-12-51)54-33-86(80-74-54)36-57-63(92)60(89)27-68-57/h1-12,28-33,55-63,66-68,87-92H,13-27,34-42,65H2/t55-,56-,57-,58-,59-,60-,61+,62+,63+/m1/s1

Standard InChI Key:  RFKARSAQDWOGOR-GBEFMBCFSA-N

Alternative Forms

1. Parent:

   

   ALA4793871

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1403.53

Molecular Weight (Monoisotopic): 1402.6643

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References

1. Martínez-Bailén M,Carmona AT,Cardona F,Matassini C,Goti A,Kubo M,Kato A,Robina I,Moreno-Vargas AJ.  (2020)  Synthesis of multimeric pyrrolidine iminosugar inhibitors of human β-glucocerebrosidase and α-galactosidase A: First example of a multivalent enzyme activity enhancer for Fabry disease.,  192  [PMID:32146376] [10.1016/j.ejmech.2020.112173]

Source

Source(1):

• Scientific Literature