6-azidohexyl (beta-D-glucopyranosyluronate)-(1->3)-(4,6-di-O-sulfonato-2-acetamido-2-deoxy-beta-D-glucopyranoside)-(1->4)-(beta-D-glucopyranosyluronate)-(1->3)-4,6-di-O-sulfonato-2-acetamido-2-deoxy-beta-D-glucopyranoside

ID: ALA4552855

Chembl Id: CHEMBL4552855

PubChem CID: 155556318

Max Phase: Preclinical

Molecular Formula: C34H55N5O35S4

Molecular Weight: 1222.08

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](COS(=O)(=O)O)[C@H]3OS(=O)(=O)O)O[C@@H]2C(=O)O)O[C@H](COS(=O)(=O)O)[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/C34H55N5O35S4/c1-11(40)37-15-24(22(73-77(57,58)59)13(9-64-75(51,52)53)66-31(15)63-8-6-4-3-5-7-36-39-35)68-34-21(46)19(44)26(28(72-34)30(49)50)70-32-16(38-12(2)41)25(69-33-20(45)17(42)18(43)27(71-33)29(47)48)23(74-78(60,61)62)14(67-32)10-65-76(54,55)56/h13-28,31-34,42-46H,3-10H2,1-2H3,(H,37,40)(H,38,41)(H,47,48)(H,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)/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:  HYHKGLHZCLXYCY-RPOKRJHUSA-N

Alternative Forms

1. Parent:

   

   ALA4552855

   ---

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: 1222.08

Molecular Weight (Monoisotopic): 1221.1560

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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