(13aS)-2,2,2-trifluoroethyl 9-oxo-7-((trimethylsilyl)ethynyl)-11,12,13,13a-tetrahydro-9H-benzo[e]imidazo[5,1-c]pyrrolo[1,2-a][1,4]diazepine-1-carboxylate

ID: ALA2261923

Chembl Id: CHEMBL2261923

PubChem CID: 76323038

Max Phase: Preclinical

Molecular Formula: C22H22F3N3O3Si

Molecular Weight: 461.52

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  C[Si](C)(C)C#Cc1ccc2c(c1)C(=O)N1CCC[C@H]1c1c(C(=O)OCC(F)(F)F)ncn1-2

Standard InChI:  InChI=1S/C22H22F3N3O3Si/c1-32(2,3)10-8-14-6-7-16-15(11-14)20(29)27-9-4-5-17(27)19-18(26-13-28(16)19)21(30)31-12-22(23,24)25/h6-7,11,13,17H,4-5,9,12H2,1-3H3/t17-/m0/s1

Standard InChI Key:  RRHVEVXCJTVPTQ-KRWDZBQOSA-N

Alternative Forms

1. Parent:

   

   ALA2261923

   2,2,2-trifluoroethyl (7S)-12-oxo-15-(2-trimethylsilylethynyl)-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate

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: 461.52

Molecular Weight (Monoisotopic): 461.1383

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References

1. Li X, Yu J, Atack JR, Cook JM.  (2004)  Development of Selective Ligands for Benzodiazepine Receptor Subtypes by Manipulating the Substituents at Positions 3- and 7- of Optically Active BzR Ligands,  13  (5): [10.1007/s00044-004-0033-7]

Source

Source(1):

• Scientific Literature