Enrasentan
-
Enrasentan
structure -
-
CAS No:
167256-08-8
-
Formula:
C29H30O8
-
Chemical Name:
Enrasentan
-
Synonyms:
1H-Indene-2-carboxylic acid,1-(1,3-benzodioxol-5-yl)-2,3-dihydro-3-[2-(2-hydroxyethoxy)-4-methoxyphenyl]-5-propoxy-,(1S,2R,3S)-;1H-Indene-2-carboxylic acid,1-(1,3-benzodioxol-5-yl)-2,3-dihydro-3-[2-(2-hydroxyethoxy)-4-methoxyphenyl]-5-propoxy-,[1S-(1α,2β,3α)]-;(1S,2R,3S)-1-(1,3-Benzodioxol-5-yl)-2,3-dihydro-3-[2-(2-hydroxyethoxy)-4-methoxyphenyl]-5-propoxy-1H-indene-2-carboxylic acid;SB 217242;Enrasentan;171714-94-6;191539-06-7
-
CAS No:
Description
Enrasentan is a member of the class of indanes that is 2,3-dihydro-1H-indene which is substituted by a 1,3-benzodioxol-5-yl group, carboxy group, 2-(2-hydroxyethoxy)-4-methoxyphenyl group and a propoxy group at positions 1S, 2R, 3S and 5, respectively. It is an orally active mixed endothelin A/B receptor antagonist with a 100-fold greater affinity for the endothelin A receptor. The drug was being developed by GSK for the treatment of congestive heart failure and pulmonary hypertension (clinical trials discontinued). It has a role as an endothelin receptor antagonist and an antihypertensive agent. It is a monocarboxylic acid, a member of benzodioxoles, an aromatic ether, a member of indanes, a monomethoxybenzene and a primary alcohol.
Drug Information
Investigated for use/treatment in congestive heart failure, chronic obstructive pulmonary disease (COPD), and benign prostatic hyperplasia.
Compounds and drugs that bind to and inhibit or block the activation of ENDOTHELIN RECECPTORS. (See all compounds classified as Endothelin Receptor Antagonists.)
(1S,2R,3S)-3-(2-(2-Hydroxyethoxy)-4-methoxyphenyl)-1-(3,4- (methylenedioxy)phenyl)-5-propoxy-2-indancarboxylic acid
Computed Properties
Molecular Weight:506.5
XLogP3:4.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:10
Exact Mass:506.19406791
Monoisotopic Mass:506.19406791
Topological Polar Surface Area:104
Heavy Atom Count:37
Complexity:747
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Request for Quotation