(2S,2'S,3S,3'S,4R,4'R)-2,2'-(4,4'-(4,4'-(2,2'-(2,2'-(4,4'-(2-(((1-(2-(2-(4-(1-(((2S,3S,4R)-3,4-dihydroxypyrrolidin-2-yl)methyl)-1H-1,2,3-triazol-4-yl)phenoxy)ethoxy)ethyl)-1H-1,2,3-triazol-5-yl)methoxy)methyl)-2-(((1-((2-(4-(1-(((2S,3S,4R)-3,4-dihydroxypyrrolidin-2-yl)methyl)-1H-1,2,3-triazol-4-yl)phenoxy)ethoxy)methyl)-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: ALA4791125

Chembl Id: CHEMBL4791125

PubChem CID: 162670941

Max Phase: Preclinical

Molecular Formula: C84H110N28O20

Molecular Weight: 1831.98

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  O[C@@H]1[C@H](O)CN[C@H]1Cn1cc(-c2ccc(OCCOCCn3cc(COCC(COCc4cn(CCOCCOc5ccc(-c6cn(C[C@@H]7NC[C@@H](O)[C@H]7O)nn6)cc5)nn4)(COCc4cn(COCCOc5ccc(-c6cn(C[C@@H]7NC[C@@H](O)[C@H]7O)nn6)cc5)nn4)COCc4cnnn4CCOCCOc4ccc(-c5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)cc4)nn3)cc2)nn1

Standard InChI:  InChI=1S/C84H110N28O20/c113-76-32-85-72(80(76)117)43-107-39-68(93-101-107)56-1-9-64(10-2-56)129-27-23-121-20-17-105-36-60(90-98-105)47-125-51-84(53-127-49-62-38-111(100-92-62)55-124-26-30-132-67-15-7-59(8-16-67)71-42-110(104-96-71)46-75-83(120)79(116)35-88-75,52-126-48-61-37-106(99-91-61)18-21-122-24-28-130-65-11-3-57(4-12-65)69-40-108(102-94-69)44-73-81(118)77(114)33-86-73)54-128-50-63-31-89-97-112(63)19-22-123-25-29-131-66-13-5-58(6-14-66)70-41-109(103-95-70)45-74-82(119)78(115)34-87-74/h1-16,31,36-42,72-83,85-88,113-120H,17-30,32-35,43-55H2/t72-,73-,74-,75-,76+,77+,78+,79+,80-,81-,82-,83-/m0/s1

Standard InChI Key:  LNNPBCPMIVSJCP-RAVVQHNTSA-N

Alternative Forms

1. Parent:

   

   ALA4791125

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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: 1831.98

Molecular Weight (Monoisotopic): 1830.8451

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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