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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H28F7N5O2.ClH
Molecular Weight 611.983
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of L-760735F HYDROCHLORIDE

SMILES

Cl.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=VZBKOBSSEVXFNF-QIRDZIKRSA-N
InChI=1S/C26H28F7N5O2.ClH/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);1H/t15-,23+,24-;/m1./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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
Substance P (neurokinin 1) receptor antagonists enhance dorsal raphe neuronal activity.
2002 Sep 1
The substance P (NK1) receptor antagonist L-760735 inhibits fear conditioning in gerbils.
2003 Mar
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 Fri Dec 15 15:51:46 UTC 2023
Edited
by admin
on Fri Dec 15 15:51:46 UTC 2023
Record UNII
E4C3XGZ4U7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
L-760735F HYDROCHLORIDE
Code 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-, HYDROCHLORIDE (1:1)
Systematic Name English
5-((2-(1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)-3-(4-FLUOROPHENYL)-4-MORPHOLINYL)METHYL)-N,N-DIMETHYL-1H-1,2,3-TRIAZOLE-4-METHANAMINE HYDROCHLORIDE, 2R-(2AR*,3A)
Common 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-, MONOHYDROCHLORIDE
Common Name English
Code System Code Type Description
PUBCHEM
9809076
Created by admin on Fri Dec 15 15:51:46 UTC 2023 , Edited by admin on Fri Dec 15 15:51:46 UTC 2023
PRIMARY
EPA CompTox
DTXSID30430977
Created by admin on Fri Dec 15 15:51:46 UTC 2023 , Edited by admin on Fri Dec 15 15:51:46 UTC 2023
PRIMARY
FDA UNII
E4C3XGZ4U7
Created by admin on Fri Dec 15 15:51:46 UTC 2023 , Edited by admin on Fri Dec 15 15:51:46 UTC 2023
PRIMARY
CAS
188923-01-5
Created by admin on Fri Dec 15 15:51:46 UTC 2023 , Edited by admin on Fri Dec 15 15:51:46 UTC 2023
PRIMARY
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