MK-8245

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H16BrFN6O4
Molecular Weight	467.249
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CN1N=NC(=N1)C2=CC(=NO2)N3CCC(CC3)OC4=CC(F)=CC=C4Br

InChI

InChIKey=UJEAABFSXKCSGI-UHFFFAOYSA-N

InChI=1S/C17H16BrFN6O4/c18-12-2-1-10(19)7-13(12)28-11-3-5-24(6-4-11)15-8-14(29-22-15)17-20-23-25(21-17)9-16(26)27/h1-2,7-8,11H,3-6,9H2,(H,26,27)

HIDE SMILES / InChI

Molecular Formula	C17H16BrFN6O4
Molecular Weight	467.249
Charge	0
Count

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

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/21661758
Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/22101133

Merck was developing MK 8245, an orally active inhibitor of stearoyl CoA desaturase for the treatment of type-2 diabetes mellitus. MK-8245 is a liver-targeting inhibitor of stearoyl-CoA desaturase (SCD) with IC50 of 1 nM for human SCD1 and 3 nM for both rat SCD1 and mouse SCD1, with anti-diabetic and anti-dyslipidemic efficacy. It is in Phase 2 clinical studies for type 2 diabetes mellitus.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Acyl-CoA desaturase 2 Target ID: CHEMBL5555 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21661758	Inhibitor 8297		1.0 nM [IC50]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Type 2 diabetes mellitus 259 Sources: https://clinicaltrials.gov/ct2/show/NCT00846391	Primary		Phase II 1132	Unknown Approved Use Unknown

Sourcing

Vendor/Aggregator	ID	URL
001 Chemical	DY34105	https://www.001chemical.com/chem/search?q=DY34105
1PlusChem LLC	1P008TYX	https://www.1pchem.com/search?query=1P008TYX
A2B Chem	AE11289	http://a2bchem.com/prod/AE11289
AChemBlock	M15370	http://www.achemblock.com/catalogsearch/result/?q=M15370
AK Scientific	3125AH	https://aksci.com/item_detail.php?cat=3125AH
AK Scientific	Y0300	https://aksci.com/item_detail.php?cat=Y0300
Angene	AGN-PC-0WAE65	http://www.angenechemical.com/productshow/AGN-PC-0WAE65.html
ApexBio Technology	A4345	https://www.apexbt.com/catalogsearch/result/?q=A4345
AstaTech	42118	http://astatechinc.com/CPSResult.php?CRNO=42118
BLD Pharm	BD253852	http://www.bldpharm.com/search/Search.html?keyword=BD253852
BLD Pharm	BD317206	http://www.bldpharm.com/search/Search.html?keyword=BD317206
Chem Scene	CS-0410	http://www.chemscene.com/goproductList/searchProductList?productObj=CS-0410
Chem Scene	CS-0914	http://www.chemscene.com/goproductList/searchProductList?productObj=CS-0914
ChemShuttle	141355	https://www.chemshuttle.com/catalogsearch/result/?q=141355
Excenen	EX-A2267	http://www.excenen.com/searchresultlist.php?id=EX-A2267
KeyOrganics	AS-19554	http://www.keyorganicsinc.com/bionet/catalogsearch/result?q=AS-19554
Lab Seeker	SC-94521	http://www.labseeker.com/search.php?keywords=SC-94521&category=0
LabSeeker	SC-94521	http://www.labseeker.com/search.php?keywords=SC-94521&category=0
MedChem Express	HY-13070	https://www.medchemexpress.com/search.html?q=HY-13070&ft=&fa=&fp=
MedChem Express	HY-13077	https://www.medchemexpress.com/search.html?q=HY-13077&ft=&fa=&fp=
MolPort	MolPort-023-293-543	https://www.molport.com/shop/molecule-link/MolPort-023-293-543
MolPort	MolPort-039-139-467	https://www.molport.com/shop/molecule-link/MolPort-039-139-467
Molcore	MC34105	http://www.molcore.com/CatMC34105.html
Molnova	M10149	https://www.molnova.com/en/serch-list.html?keywords=M10149
Molnova	M11723	https://www.molnova.com/en/serch-list.html?keywords=M11723
ShangHai Biochempartner	BCP000392	http://www.biochempartner.com/search_BCP000392
ShangHai Biochempartner	BCP02516	http://www.biochempartner.com/search_BCP02516
ShangHai Biochempartner	BCP17297	http://www.biochempartner.com/search_BCP17297
TargetMol	T2650	https://www.targetmol.com/search?keyword=T2650
eMolecules	43366949	https://orderbb.emolecules.com/search/#?query=43366949
eMolecules	44811526	https://orderbb.emolecules.com/search/#?query=44811526
eMolecules	85163602	https://orderbb.emolecules.com/search/#?query=85163602
eNovation Chemicals	D383517	https://www.enovationchem.com/Products.asp?SEARCHTEXT=D383517&searchbtn.x=0&searchbtn.y=0
mcule	MCULE-4799698262	https://mcule.com/MCULE-4799698262/
mcule	MCULE-7106338249	https://mcule.com/MCULE-7106338249/
mcule	MCULE-7554346301	https://mcule.com/MCULE-7554346301/

PubMed

Title	Date	PubMed
Development of a liver-targeted stearoyl-CoA desaturase (SCD) inhibitor (MK-8245) to establish a therapeutic window for the treatment of diabetes and dyslipidemia.	2011 Jul 28	21661758

Patents

Sample Use Guides

In Vivo Use Guide

50 mg capsules twice daily for 13 days.

Route of Administration: Oral

In Vitro Use Guide

MK-8245 exhibits a significant SCD inhibition in the rat hepatocyte assay which contains functional, active OATPs with IC50 of 68 nM, while being only weakly active in the HepG2 cell assay which is devoid of active OATPs with IC50 of ~1 uM.

Substance Class	Chemical Created by `admin` on `Sat Dec 16 07:50:42 GMT 2023` Edited by `admin` on `Sat Dec 16 07:50:42 GMT 2023`
Record UNII	537E7QE8LX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MK-8245

Common Name

English

2H-TETRAZOLE-2-ACETIC ACID, 5-(3-(4-(2-BROMO-5-FLUOROPHENOXY)-1-PIPERIDINYL)-5-ISOXAZOLYL)-

Common Name

English

Code System Code Type Description

CAS

1030612-90-8