(2S,3S,4S,5R,6R)-6-((2S,3R,4R,5S,6R)-3-acetamido-2-((2S,3S,4R,5R,6R)-6-((2R,3R,4R,5S,6R)-3-acetamido-2-(6-azidohexyloxy)-6-(hydroxymethyl)-5-(sulfonatooxy)tetrahydro-2H-pyran-4-yloxy)-2-carboxylato-4,5-dihydroxytetrahydro-2H-pyran-3-yloxy)-6-(hydroxymethyl)-5-(sulfonatooxy)tetrahydro-2H-pyran-4-yloxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate

ID: ALA4528639

Chembl Id: CHEMBL4528639

PubChem CID: 155545058

Max Phase: Preclinical

Molecular Formula: C34H55N5O29S2

Molecular Weight: 1061.95

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@@H]3[C@@H](NC(C)=O)[C@H](OCCCCCCN=[N+]=[N-])O[C@H](CO)[C@H]3OS(=O)(=O)O)O[C@@H]2C(=O)O)O[C@H](CO)[C@@H](OS(=O)(=O)O)[C@@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O

Standard InChI:  InChI=1S/C34H55N5O29S2/c1-11(42)37-15-24(22(67-69(53,54)55)13(9-40)60-31(15)59-8-6-4-3-5-7-36-39-35)62-34-21(48)19(46)26(28(66-34)30(51)52)64-32-16(38-12(2)43)25(23(14(10-41)61-32)68-70(56,57)58)63-33-20(47)17(44)18(45)27(65-33)29(49)50/h13-28,31-34,40-41,44-48H,3-10H2,1-2H3,(H,37,42)(H,38,43)(H,49,50)(H,51,52)(H,53,54,55)(H,56,57,58)/t13-,14-,15-,16-,17+,18+,19-,20-,21-,22-,23-,24-,25-,26+,27+,28+,31-,32+,33-,34-/m1/s1

Standard InChI Key:  GXFXZJJKAFYBLS-RPOKRJHUSA-N

Alternative Forms

1. Parent:

   

   ALA4528639

   ---

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: 1061.95

Molecular Weight (Monoisotopic): 1061.2424

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References

1. Yao W, Chen M, Dou X, Jin H, Zhang X, Zhu Y, Sha M, Liu Z, Meng X, Zhang L, Zhu S, Li Z..  (2019)  Unravel a neuroactive sHA sulfation pattern with neurogenesis activity by a library of defined oligosaccharides.,  163  [PMID:30557831] [10.1016/j.ejmech.2018.12.004]

Source

Source(1):

• Scientific Literature