Anatibant
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Anatibant
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CAS No:
209733-45-9
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Formula:
C34H36Cl2N6O5S
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Chemical Name:
Anatibant
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Synonyms:
anatibant;(2s)-n-(3-(4-carbamimidoylbenzamido)propyl)-1-(2,4-dichloro-3-((2,4-dimethyl-8-quinolyloxy)methyl)phenylsulfonyl)pyrrolidine-2-carboxamide;2-PYRROLIDINECARBOXAMIDE, N-[3-[[4-(AMINOIMINOMETHYL)BENZOYL]AMINO]PROPYL]-1-[[2,4-DICHLORO-3-[[(2,4-DIMETHYL-8-QUINOLINYL)OXY]METHYL]PHENYL]SULFONYL]-, (2S)-;Anatibant [inn];Unii-clo4jrd21f
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CAS No:
Description
Anatibant is a proline derivative.|Anatibant is a selective, very potent, small-molecule Bradykinin B2 receptor antagonist. It is developed for the for the treatment of traumatic brain injury (TBI).
Drug Information
Investigated for use/treatment in traumatic brain injuries.
Compounds and drugs that inhibit ligand binding or cellular signaling by BRADYKININ RECEPTORS. (See all compounds classified as Bradykinin Receptor Antagonists.)
Anatibant is a new potent and selective non-peptide antagonist of the bradyknin B2 receptor. Anatibant crosses the blood brain barrier, reduces brain edema formation and brain damage, and improves neurological function following experimental traumatic brain injury. The underlying mechanisms are still not well understood. So far bradykinin B2 receptor-mediated neuroprotection was mainly explained by the reduction of vascular permeability and subsequent reduction of post-ischemic or post-traumatic brain edema.
1-((2,4-dichloro-3-(((2,4-dimethylquinolin-8-yl)oxy) methyl)phenyl)sulfonyl)-N-(3-((4-(aminoimethyl) phenyl) carbonylamino)propyl)-2(S)-pyrrolidinecarboxamide
Computed Properties
Molecular Weight:711.7
XLogP3:5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:12
Exact Mass:710.1844948
Monoisotopic Mass:710.1844948
Topological Polar Surface Area:176
Heavy Atom Count:48
Complexity:1230
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes