MEROTOCIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C48H68FN11O12S
Molecular Weight	1042.183
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]1(NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)CC3=CC=C(F)C=C3)[C@@H](C)CC

InChI

InChIKey=PVVHQWISMVJHFK-NIFJBHDKSA-N

InChI=1S/C48H68FN11O12S/c1-5-27(4)42-47(71)56-32(16-17-37(50)62)44(68)57-35(21-38(51)63)45(69)58-36(25-73-18-6-7-40(65)54-34(46(70)59-42)20-28-10-14-31(61)15-11-28)48(72)60(23-29-8-12-30(49)13-9-29)24-41(66)55-33(19-26(2)3)43(67)53-22-39(52)64/h8-15,26-27,32-36,42,61H,5-7,16-25H2,1-4H3,(H2,50,62)(H2,51,63)(H2,52,64)(H,53,67)(H,54,65)(H,55,66)(H,56,71)(H,57,68)(H,58,69)(H,59,70)/t27-,32-,33-,34-,35-,36-,42-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C48H68FN11O12S
Molecular Weight	1042.183
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/24874785 | https://clinicaltrials.gov/ct2/show/NCT02545127 | https://adisinsight.springer.com/drugs/800042135

Merotocin (FE-202767 or carba-1-[4-FBzlGly(7)]dOT) is a selective peptidic oxytocin receptor agonist. It is currently in clinical development for the treatment of preterm mothers requiring lactation support.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Oxytocin receptor 19 Target ID: P30559 Gene ID: 5021.0 Gene Symbol: OXTR Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/24874785	Agonist 2678		0.1 nM [EC50]

PubMed

Title	Date	PubMed

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Nasal

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:32:34 UTC 2023` Edited by `admin` on `Sat Dec 16 09:32:34 UTC 2023`
Record UNII	UW3ON116CO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MEROTOCIN

Official Name

English

Merotocin [WHO-DD]

Common Name

English

GLYCINAMIDE, N-(4-MERCAPTO-1-OXOBUTYL)-L-TYROSYL-L-ISOLEUCYL-L-GLUTAMINYL-L-ASPARAGINYL-L-CYSTEINYL-N-((4-FLUOROPHENYL)METHYL)GLYCYL-L-LEUCYL-, CYCLIC (1->5)-THIOETHER

Systematic Name

English

merotocin [INN]

Common Name

English

N-(4-SULFANYLBUTANOYL)-L-TYROSYL-L-ISOLEUCYL-L-GLUTAMINYL-L-ASPARAGINYL-L-CYSTEINYL-N-((4-FLUOROPHENYL)METHYL)GLYCYL-L-LEUCYLGLYCINAMIDE CYCLIC (1-5)-THIOETHER

Systematic Name

English

Code System Code Type Description

INN

9947