[4-(dimethoxymethoxycarbonyl)-3-methoxy-2,5,6-trimethyl-phenyl]4-[[6-[[4-[4-(dimethoxymethoxycarbonyl)-3-methoxy-2,5,6-trimethyl-phenoxy]carbonyl-3-methoxy-2,5,6-trimethyl-phenoxy]methyl]-2-pyridyl]methoxy]-2-methoxy-3,5,6-trimethyl-benzoate

ID: ALA4467667

Chembl Id: CHEMBL4467667

PubChem CID: 155532772

Max Phase: Preclinical

Molecular Formula: C57H69NO18

Molecular Weight: 1056.17

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  COc1c(C)c(OCc2cccc(COc3c(C)c(C)c(C(=O)Oc4c(C)c(C)c(C(=O)OC(OC)OC)c(OC)c4C)c(OC)c3C)n2)c(C)c(C)c1C(=O)Oc1c(C)c(C)c(C(=O)OC(OC)OC)c(OC)c1C

Standard InChI:  InChI=1S/C57H69NO18/c1-26-30(5)44(34(9)48(63-13)40(26)52(59)73-46-32(7)28(3)42(50(65-15)36(46)11)54(61)75-56(67-17)68-18)71-24-38-22-21-23-39(58-38)25-72-45-31(6)27(2)41(49(64-14)35(45)10)53(60)74-47-33(8)29(4)43(51(66-16)37(47)12)55(62)76-57(69-19)70-20/h21-23,56-57H,24-25H2,1-20H3

Standard InChI Key:  WBQCJFHWJFIRIW-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA4467667

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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: 1056.17

Molecular Weight (Monoisotopic): 1055.4515

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References

1. Ohsawa K, Yoshida M, Izumikawa M, Takagi M, Shin-Ya K, Goshima N, Hirokawa T, Natsume T, Doi T..  (2018)  Synthesis and biological evaluation of thielocin B1 analogues as protein-protein interaction inhibitors of PAC3 homodimer.,  26  (23-24): [PMID:30455074] [10.1016/j.bmc.2018.11.001]

Source

Source(1):

• Scientific Literature