MOLIDUSTAT SODIUM

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H13N8O2.Na
Molecular Weight	336.2845
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[O-]C1=C(C=NN1C2=NC=NC(=C2)N3CCOCC3)N4C=CN=N4

InChI

InChIKey=VYRQLKYGGSWDNH-UHFFFAOYSA-M

InChI=1S/C13H14N8O2.Na/c22-13-10(20-2-1-16-18-20)8-17-21(13)12-7-11(14-9-15-12)19-3-5-23-6-4-19;/h1-2,7-9,22H,3-6H2;/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	C13H13N8O2
Molecular Weight	313.2947
Charge	-1
Count

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

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
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/25392999 | https://www.ncbi.nlm.nih.gov/pubmed/28242135

Molidustat also was known as BAY 85-3934 is a novel inhibitor of hypoxia-inducible factor (HIF) prolyl hydroxylase (PH) which stimulates erythropoietin (EPO) production and the formation of red blood cells. Hypoxia-inducible factor (HIF) is the major transcription factor involved in erythropoietin gene expression. Because oxygen-dependent degradation of the α subunit of HIF suppresses erythropoietin expression, stimulation of erythropoiesis by agents that prevent degradation of HIF has been one strategy for managing anemia. Thus, molidustat is in phase II of a clinical trial to investigate the effects therapy in patients with renal anemia associated with chronic kidney disease and/or end-stage renal disease.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Hypoxia-inducible factor prolyl hydroxylase 1 6 Target ID: CHEMBL3028 Sources: https://www.ncbi.nlm.nih.gov/pubmed/28242135	Inhibitor 8504

Conditions

Condition	Modality	Targets	Highest Phase	Product
Renal anemia 3 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25392999	Primary		Phase II 1147	Unknown Approved Use Unknown

C_max

Value	Dose	Co-administered	Analyte	Population
1920 μg/L EXPERIMENT https://www.ncbi.nlm.nih.gov/pubmed/31919558	150 mg single, oral dose: 150 mg route of administration: Oral experiment type: SINGLE co-administered:		MOLIDUSTAT blood	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED

AUC

Value	Dose	Co-administered	Analyte	Population
2960 μg × h/L EXPERIMENT https://www.ncbi.nlm.nih.gov/pubmed/31919558	150 mg single, oral dose: 150 mg route of administration: Oral experiment type: SINGLE co-administered:		MOLIDUSTAT blood	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED

T_1/2

Value	Dose	Co-administered	Analyte	Population
11.9 h EXPERIMENT https://www.ncbi.nlm.nih.gov/pubmed/31919558	150 mg single, oral dose: 150 mg route of administration: Oral experiment type: SINGLE co-administered:		MOLIDUSTAT blood	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED

Sourcing

Vendor/Aggregator	ID	URL
001 Chemical	DY34489	https://www.001chemical.com/chem/search?q=DY34489
1PlusChem LLC	1P000GEP	https://www.1pchem.com/search?query=1P000GEP
A2B Chem	AA20465	http://a2bchem.com/prod/AA20465
AA Blocks	AA000FV9	http://aablocks.com/goods/Goods/detail?id=AA000FV9
AChemBlock	R16009	http://www.achemblock.com/catalogsearch/result/?q=R16009
Ambeed	A175470	http://www.ambeed.com/search/Search.html?keyword=A175470
ApexBio Technology	B5861	https://www.apexbt.com/catalogsearch/result/?q=B5861
AstaTech	44291	http://astatechinc.com/CPSResult.php?CRNO=44291
BLD Pharm	BD434968	http://www.bldpharm.com/search/Search.html?keyword=BD434968
Cayman Chemical	15297	http://www.caymanchem.com/app/template/Product.vm/catalog/15297
Chem Scene	CS-4046	http://www.chemscene.com/goproductList/searchProductList?productObj=CS-4046
ChemShuttle	140527	https://www.chemshuttle.com/catalogsearch/result/?q=140527
Combi-Blocks	QV-6368	http://www.combi-blocks.com/cgi-bin/find.cgi?QV-6368
eMolecules	49832746	https://orderbb.emolecules.com/search/#?query=49832746
Excenen	EX-A562	http://www.excenen.com/searchresultlist.php?id=EX-A562
KeyOrganics	AS-74456	http://www.keyorganicsinc.com/bionet/catalogsearch/result?q=AS-74456
Lab Network	LN01315592	https://labnetwork.com/frontend-app/p/#!/moleculedetails/LN01315592
mcule	MCULE-7718428409	https://mcule.com/MCULE-7718428409/
MedChem Express	HY-12654	https://www.medchemexpress.com/search.html?q=HY-12654&ft=&fa=&fp=
Molcore	MC34489	http://www.molcore.com/CatMC34489.html
Molnova	M10540	https://www.molnova.com/en/serch-list.html?keywords=M10540
MuseChem	I000565	https://www.musechem.com/product/I000565.html
Ryan Scientific	Esomeprazole_Sodium	https://ryansci.com/products?q=Esomeprazole_Sodium&list_q=&search_type=exact
Selleck Chemicals	S8138	http://www.selleckchem.com/search.html?searchDTO.searchParam=S8138
ShangHai Biochempartner	BCP001547	http://www.biochempartner.com/search_BCP001547
ShangHai Biochempartner	BCP14477	http://www.biochempartner.com/search_BCP14477

PubMed

Title	Date	PubMed
A nonradioactive 96-well plate assay for the detection of hypoxia-inducible factor prolyl hydroxylase activity.	2004 Jul 1	15183764
First-in-class anemia drug takes aim at Amgen's dominion.	2013 Nov	24213751
Targeting the hypoxia-sensing pathway in clinical hematology.	2014 Feb	24371328

Patents

Sample Use Guides

In Vivo Use Guide

Available doses include 15, 25, 50, 75, 100, and 150 mg/day OD. Treatment will be for minimum of 6 months to up to a maximum of 36 months.

Route of Administration: Oral

In Vitro Use Guide

BAY 85-3934 (molidustat) induced the transcription of hypoxia-sensitive genes in HeLa, A549, and Hep3B cells. The mRNA expression levels of a panel of HIF target genes were analyzed by quantitative RT-PCR (qRT-PCR) in the three cell lines 4 h after exposure to concentrations of BAY 85-3934 up to 10 µM. mRNA levels were found to be induced by BAY 85-3934 in a dose-dependent manner. The basal level of expression and the factor of induction varied considerably between cell lines. The highest induction factors (up to 20-fold) were observed for carbonic anhydrase IX (CA-IX) in HeLa cells, CA-IX and angiopoietin-like 4 (ANGPTL-4) in A549 cells, and EPO and ANGPTL-4 in Hep3B cells. The other genes examined were induced between 2- and 5-fold. The mRNA expression level of ANGPTL-4 was not increased by BAY 85-3934 in HeLa cells. EPO mRNA was not detectable at baseline and not induced in HeLa or A549 cells. The threshold concentration for induction of CA-IX expression was 500 nM in HeLa cells, and greater than 1 µM for all other genes that showed a response.

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:41:01 GMT 2025` Edited by `admin` on `Mon Mar 31 23:41:01 GMT 2025`
Record UNII	CI0NE7C96T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MOLIDUSTAT SODIUM

Official Name

English

1H-PYRAZOL-5-OL, 1-(6-(4-MORPHOLINYL)-4-PYRIMIDINYL)-4-(1H-1,2,3-TRIAZOL-1-YL)-, SODIUM SALT (1:1)

Preferred Name

English

1-(6-(MORPHOLIN-4-YL)PYRIMIDIN-4-YL)-4-(1H-1,2,3-TRIAZOL-1-YL)-1H-PYRAZOL-5-OL, SODIUM SALT (1:1)

Systematic Name

English

BAY-1053048

Code

English

Molidustat sodium [WHO-DD]

Common Name

English

MOLIDUSTAT SODIUM [USAN]

Common Name

English

MOLIDUSTAT SODIUM [JAN]

Common Name

English

BAY-85-3934 SODIUM

Code

English

Code System Code Type Description

NCI_THESAURUS

C180651