ENCALERET SULFATE ANHYDROUS

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C29H33ClFNO4.H2O4S
Molecular Weight	1126.135
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ENCALERET SULFATE ANHYDROUS

Structure Search

SMILES

OS(O)(=O)=O.C[C@@H](OC[C@H](O)CNC(C)(C)CC1=CC(F)=C(Cl)C=C1)C2=C(C=CC=C2)C3=CC(C)=C(C=C3)C(O)=O.C[C@@H](OC[C@H](O)CNC(C)(C)CC4=CC(F)=C(Cl)C=C4)C5=C(C=CC=C5)C6=CC(C)=C(C=C6)C(O)=O

InChI

InChIKey=WSNVXWWLBYSQIM-DMHHVDOYSA-N

InChI=1S/2C29H33ClFNO4.H2O4S/c2*1-18-13-21(10-11-23(18)28(34)35)25-8-6-5-7-24(25)19(2)36-17-22(33)16-32-29(3,4)15-20-9-12-26(30)27(31)14-20;1-5(2,3)4/h2*5-14,19,22,32-33H,15-17H2,1-4H3,(H,34,35);(H2,1,2,3,4)/t2*19-,22-;/m11./s1

HIDE SMILES / InChI

Molecular Formula	C29H33ClFNO4
Molecular Weight	514.028
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	H2O4S
Molecular Weight	98.078
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://adisinsight.springer.com/drugs/800023553 | https://www.ncbi.nlm.nih.gov/pubmed/21810422 | https://www.ncbi.nlm.nih.gov/pubmed/25166719 | https://www.ncbi.nlm.nih.gov/pubmed/26556736

Encaleret (JTT-305 or MK-5442) is a potent oral short-acting calcium-sensing receptor (CaSR) antagonist and transiently stimulates endogenous parathyroid hormone (PTH) secretion. CaSR antagonists stimulate endogenous PTH secretion through CaSR on the surface of parathyroid cells and thereby may be anabolic agents for osteoporosis. Japan Tobacco and Merck were developing encaleret for the treatment of osteoporosis however development has been discontinued.

Originator

Approval Year

PubMed

Title	Date	PubMed
A semimechanistic model of the time-course of release of PTH into plasma following administration of the calcilytic JTT-305/MK-5442 in humans.	2013-08	23436611
Pharmacodynamic responses to combined treatment regimens with the calcium sensing receptor antagonist JTT-305/MK-5442 and alendronate in osteopenic ovariectomized rats.	2012-06	22445539
JTT-305, an orally active calcium-sensing receptor antagonist, stimulates transient parathyroid hormone release and bone formation in ovariectomized rats.	2011-10-01	21810422
[Antagonist for calcium-sensing receptor. JTT-305/MK-5442].	2011-01	21187599

Patents

Sample Use Guides

In Vivo Use Guide

Phase II studies: 2.5 - 15 mg daily

Route of Administration: Oral

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:11:04 GMT 2025` Edited by `admin` on `Mon Mar 31 21:11:04 GMT 2025`
Record UNII	T3L2G43IWK
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ENCALERET SULFATE ANHYDROUS

Common Name

English

(1,1'-BIPHENYL)-4-CARBOXYLIC ACID, 2'-((1R)-1-((2R)-3-((2-(4-CHLORO-3-FLUOROPHENYL)-1,1-DIMETHYLETHYL)AMINO)-2-HYDROXYPROPOXY)ETHYL)-3-METHYL-, SULFATE (2:1)

Preferred Name

English

BIS((2R)-3-((1R)-1-(4'-CARBOXY-3'-METHYL(1,1'-BIPHENYL)-2-YL)ETHOXY)-N-(1-(4-CHLORO-3-FLUOROPHENYL)-2-METHYLPROPAN-2-YL)-2-HYDROXYPROPAN-1-AMINIUM) SULFATE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID40229278