(2R,2'R,3S,3'S,4R,4'R)-2,2'-(4,4'-(3,3'-(4,4'-(2-amino-2-(((1-(3-(1-(((2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl)methyl)-1H-1,2,3-triazol-4-yl)propyl)-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(propane-3,1-diyl))bis(1H-1,2,3-triazole-4,1-diyl))bis(methylene)dipyrrolidine-3,4-diol

ID: ALA4792910

Chembl Id: CHEMBL4792910

PubChem CID: 162671126

Max Phase: Preclinical

Molecular Formula: C43H68N22O9

Molecular Weight: 1037.16

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  NC(COCc1cn(CCCc2cn(C[C@H]3NC[C@@H](O)[C@H]3O)nn2)nn1)(COCc1cn(CCCc2cn(C[C@H]3NC[C@@H](O)[C@H]3O)nn2)nn1)COCc1cn(CCCc2cn(C[C@H]3NC[C@@H](O)[C@H]3O)nn2)nn1

Standard InChI:  InChI=1S/C43H68N22O9/c44-43(25-72-22-31-16-60(54-51-31)7-1-4-28-13-63(57-48-28)19-34-40(69)37(66)10-45-34,26-73-23-32-17-61(55-52-32)8-2-5-29-14-64(58-49-29)20-35-41(70)38(67)11-46-35)27-74-24-33-18-62(56-53-33)9-3-6-30-15-65(59-50-30)21-36-42(71)39(68)12-47-36/h13-18,34-42,45-47,66-71H,1-12,19-27,44H2/t34-,35-,36-,37-,38-,39-,40+,41+,42+/m1/s1

Standard InChI Key:  IPPFXCKDEUEEGW-DGKLZRGCSA-N

Alternative Forms

1. Parent:

   

   ALA4792910

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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: 1037.16

Molecular Weight (Monoisotopic): 1036.5540

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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