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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H28F7N5O2
Molecular Weight 575.5216
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of L-760735F

SMILES

C[C@@H](O[C@H]1OCCN(CC2=C(CN(C)C)N=NN2)[C@H]1C3=CC=C(F)C=C3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChIKey=USRYEHHMJIRICK-ZNZBMKLDSA-N
InChI=1S/C26H28F7N5O2/c1-15(17-10-18(25(28,29)30)12-19(11-17)26(31,32)33)40-24-23(16-4-6-20(27)7-5-16)38(8-9-39-24)14-22-21(13-37(2)3)34-36-35-22/h4-7,10-12,15,23-24H,8-9,13-14H2,1-3H3,(H,34,35,36)/t15-,23+,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H28F7N5O2
Molecular Weight 575.5216
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Description
Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/9733503 | https://www.ncbi.nlm.nih.gov/pubmed/11595206 | https://www.ncbi.nlm.nih.gov/pubmed/15875166 | https://www.ncbi.nlm.nih.gov/pubmed/26690860

L-760735 is a non-peptide substance P receptor (Neurokinin 1 (NK1) receptor) antagonist. It exerts anxiolytic, antidepressant and antinociceptive actions in animals. Merck was developing an L- 760735 as a potential antidepressant.

Originator

Curator's Comment: # Merck & Co

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
0.3 nM [IC50]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

Approved Use

Unknown
Primary
Unknown

Approved Use

Unknown
Primary
Unknown

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
An NK1 receptor antagonist affects the circadian regulation of locomotor activity in golden hamsters.
1998 Jul 27
Distinct mechanism for antidepressant activity by blockade of central substance P receptors.
1998 Sep 11
The substance P (NK1) receptor antagonist L-760735 inhibits fear conditioning in gerbils.
2003 Mar
Chronic psychosocial stress in tree shrews: effect of the substance P (NK1 receptor) antagonist L-760735 and clomipramine on endocrine and behavioral parameters.
2005 Sep
Substance P Receptor Antagonist Suppresses Inflammatory Cytokine Expression in Human Disc Cells.
2015 Aug 15
Patents

Patents

Sample Use Guides

Tree shrews were subjected to a 7-day period of psychosocial stress before receiving daily oral administration of L-760735 (10 mg/kg/day)
Route of Administration: Oral
In Vitro Use Guide
Curator's Comment: Treatment of human intervertebral disc cells with L-760735 was able to suppress expression of IL-1β, IL-6, and IL-8 in a dose-dependent manner.
Unknown
Substance Class Chemical
Created
by admin
on Sat Dec 16 13:45:00 GMT 2023
Edited
by admin
on Sat Dec 16 13:45:00 GMT 2023
Record UNII
4I4P4I2E8P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
L-760735F
Code English
5-(((2R,3S)-2-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)-3-(4-FLUOROPHENYL)-4-MORPHOLINYL)METHYL)-N,N-DIMETHYL-1H-1,2,3-TRIAZOLE-4-METHANAMINE
Systematic Name English
1H-1,2,3-TRIAZOLE-4-METHANAMINE, 5-(((2R,3S)-2-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)-3-(4-FLUOROPHENYL)-4-MORPHOLINYL)METHYL)-N,N-DIMETHYL-
Systematic Name English
Code System Code Type Description
CAS
171242-11-8
Created by admin on Sat Dec 16 13:45:00 GMT 2023 , Edited by admin on Sat Dec 16 13:45:00 GMT 2023
PRIMARY
PUBCHEM
9809077
Created by admin on Sat Dec 16 13:45:00 GMT 2023 , Edited by admin on Sat Dec 16 13:45:00 GMT 2023
PRIMARY
FDA UNII
4I4P4I2E8P
Created by admin on Sat Dec 16 13:45:00 GMT 2023 , Edited by admin on Sat Dec 16 13:45:00 GMT 2023
PRIMARY
EPA CompTox
DTXSID90430978
Created by admin on Sat Dec 16 13:45:00 GMT 2023 , Edited by admin on Sat Dec 16 13:45:00 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY