triethyl((3-nitro-2-(trifluoromethyl)-2H-chromen-6-yl)ethynyl)silane

ID: ALA4877977

Chembl Id: CHEMBL4877977

PubChem CID: 164628974

Max Phase: Preclinical

Molecular Formula: C18H20F3NO3Si

Molecular Weight: 383.44

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  CC[Si](C#Cc1ccc2c(c1)C=C([N+](=O)[O-])C(C(F)(F)F)O2)(CC)CC

Standard InChI:  InChI=1S/C18H20F3NO3Si/c1-4-26(5-2,6-3)10-9-13-7-8-16-14(11-13)12-15(22(23)24)17(25-16)18(19,20)21/h7-8,11-12,17H,4-6H2,1-3H3

Standard InChI Key:  VQYCHPJMJSYQDC-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA4877977

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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: 383.44

Molecular Weight (Monoisotopic): 383.1165

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References

1. Jung YH, Jain S, Gopinatth V, Phung NB, Gao ZG, Jacobson KA..  (2021)  Structure activity relationship of 3-nitro-2-(trifluoromethyl)-2H-chromene derivatives as P2Y₆ receptor antagonists.,  41  [PMID:33831560] [10.1016/j.bmcl.2021.128008]

2. Jung YH, Shah Q, Lewicki SA, Pramanik A, Gopinatth V, Pelletier J, Sévigny J, Iqbal J, Jacobson KA..  (2022)  Synthesis and pharmacological characterization of multiply substituted 2H-chromene derivatives as P2Y₆ receptor antagonists.,  75  [PMID:36089113] [10.1016/j.bmcl.2022.128981]

Source

Source(1):

• Scientific Literature