CHEBI:86474 - RO4929097

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ChEBI Name RO4929097
ChEBI ID CHEBI:86474
Definition A member of the class of dibenzoazepines that is the amide formed from formal condensation of the carboxy group of 2,2-dimethyl-3-oxo-3-[(2,2,3,3,3-pentafluoropropyl)amino]propanoic acid with the amino group of (7S)-7-amino-5,7-dihydrodibenzo[b,d]azepin-6-one.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter TheOtherDave
Supplier Information
Download Molfile XML SDF
Formula C22H20F5N3O3
Net Charge 0
Average Mass 469.40450
Monoisotopic Mass 469.14248
InChI InChI=1S/C22H20F5N3O3/c1-20(2,18(32)28-11-21(23,24)22(25,26)27)19(33)30-16-14-9-4-3-7-12(14)13-8-5-6-10-15(13)29-17(16)31/h3-10,16H,11H2,1-2H3,(H,28,32)(H,29,31)(H,30,33)/t16-/m0/s1
InChIKey OJPLJFIFUQPSJR-INIZCTEOSA-N
SMILES CC(C)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[C@H]1c2ccccc2-c2ccccc2NC1=O
Roles Classification
Biological Role(s): EC 3.4.23.46 (memapsin 2) inhibitor
An EC 3.4.23.* (aspartic endopeptidase) inhibitor that interferes with the activity of memapsin 2 (EC 3.4.23.46).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing RO4929097 (CHEBI:86474) has role EC 3.4.23.46 (memapsin 2) inhibitor (CHEBI:74925)
RO4929097 (CHEBI:86474) is a dibenzoazepine (CHEBI:47804)
RO4929097 (CHEBI:86474) is a dicarboxylic acid diamide (CHEBI:35779)
RO4929097 (CHEBI:86474) is a lactam (CHEBI:24995)
RO4929097 (CHEBI:86474) is a organofluorine compound (CHEBI:37143)
IUPAC Name
2,2-dimethyl-N1-[(7S)-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl]-N3-(2,2,3,3,3-pentafluoropropyl)propanediamide
Synonyms Sources
Ro 4929097 ChemIDplus
RO-4929097 SUBMITTER
Manual Xref Database
LSM-42762 LINCS
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Registry Numbers Types Sources
12194848 Reaxys Registry Number Reaxys
847925-91-1 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
22529266 PubMed citation Europe PMC
25250858 PubMed citation Europe PMC
25318436 PubMed citation Europe PMC
25486598 PubMed citation Europe PMC
25769658 PubMed citation Europe PMC
Last Modified
26 February 2016