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

ID: ALA4540967

Chembl Id: CHEMBL4540967

PubChem CID: 155551089

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

Alternative Forms

1. Parent:

   

   ALA4540967

   ---

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