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
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(O)=O)C(C)=C3.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(O)=O)C(C)=C6
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
| 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 |
| 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 |
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 |
|---|---|---|
| [Antagonist for calcium-sensing receptor. JTT-305/MK-5442]. | 2011 Jan |
|
| JTT-305, an orally active calcium-sensing receptor antagonist, stimulates transient parathyroid hormone release and bone formation in ovariectomized rats. | 2011 Oct 1 |
|
| Pharmacodynamic responses to combined treatment regimens with the calcium sensing receptor antagonist JTT-305/MK-5442 and alendronate in osteopenic ovariectomized rats. | 2012 Jun |
|
| 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 Aug |
Patents
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 02:14:53 GMT 2023
by
admin
on
Sat Dec 16 02:14:53 GMT 2023
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| Record UNII |
T3L2G43IWK
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| Record Status |
Validated (UNII)
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| Record Version |
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49855308
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T3L2G43IWK
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787584-79-6
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| Related Record | Type | Details | ||
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SOLVATE->ANHYDROUS |
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ACTIVE MOIETY |
