GALUNISERTIB MONOHYDRATE

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H19N5O.H2O
Molecular Weight	387.4344
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.CC1=CC=CC(=N1)C2=NN3CCCC3=C2C4=C5C=C(C=CC5=NC=C4)C(N)=O

InChI

InChIKey=UZOSBNQFZUJWFP-UHFFFAOYSA-N

InChI=1S/C22H19N5O.H2O/c1-13-4-2-5-18(25-13)21-20(19-6-3-11-27(19)26-21)15-9-10-24-17-8-7-14(22(23)28)12-16(15)17;/h2,4-5,7-10,12H,3,6,11H2,1H3,(H2,23,28);1H2

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Molecular Formula	C22H19N5O
Molecular Weight	369.4192
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/26309397 | https://www.ncbi.nlm.nih.gov/pubmed/24917246

Galunisertib is a potent inhibitor of TGF beta type 1 receptor. The drug is under clinical development for the treatment of different cancers: pancreatic, hepatocellular, breast, rectal, prostate etc. and reached phase 2/3 in patients with myelodysplastic syndromes.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
TGF-beta receptor type I 6 Target ID: CHEMBL4439 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26309397	Inhibitor 8504		56.0 nM [IC50]

Conditions

Condition	Modality	Highest Phase	Product
Myelodysplastic syndromes 61 Sources: https://clinicaltrials.gov/ct2/show/NCT02008318	Primary	Phase III 665	Unknown Approved Use Unknown
Prostate cancer 186 Sources: https://clinicaltrials.gov/ct2/show/NCT02452008	Primary	Phase II 1147	Unknown Approved Use Unknown
Rectal adenocarcinoma 2 Sources: https://clinicaltrials.gov/ct2/show/NCT02688712	Primary	Phase II 1147	Unknown Approved Use Unknown
Hepatocellular carcinoma 83 Sources: https://clinicaltrials.gov/ct2/show/NCT02178358	Primary	Phase II 1147	Unknown Approved Use Unknown
Breast cancer 432 Sources: https://clinicaltrials.gov/ct2/show/NCT02538471	Primary	Phase II 1147	Unknown Approved Use Unknown
Pancreatic ductal adenocarcinoma 14 Sources: https://clinicaltrials.gov/ct2/show/NCT02981342	Primary	Phase II 1147	Unknown Approved Use Unknown
Glioblastoma 66 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26902851	Primary	Phase II 1147	Unknown Approved Use Unknown

C_max

Value	Dose	Co-administered	Analyte	Population
800 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/25529192/	150 mg 2 times / day steady-state, oral dose: 150 mg route of administration: Oral experiment type: STEADY-STATE co-administered:		GALUNISERTIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
990 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/25529192/	150 mg 2 times / day steady-state, oral dose: 150 mg route of administration: Oral experiment type: STEADY-STATE co-administered:		GALUNISERTIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN

AUC

Value	Dose	Co-administered	Analyte	Population
2930 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/25529192/	150 mg 2 times / day steady-state, oral dose: 150 mg route of administration: Oral experiment type: STEADY-STATE co-administered:		GALUNISERTIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
3730 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/25529192/	150 mg 2 times / day steady-state, oral dose: 150 mg route of administration: Oral experiment type: STEADY-STATE co-administered:		GALUNISERTIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN

T_1/2

Value	Dose	Co-administered	Analyte	Population
8 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/25529192/	150 mg 2 times / day steady-state, oral dose: 150 mg route of administration: Oral experiment type: STEADY-STATE co-administered:		GALUNISERTIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
8 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/25529192/	150 mg 2 times / day steady-state, oral dose: 150 mg route of administration: Oral experiment type: STEADY-STATE co-administered:		GALUNISERTIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN

F_unbound

Value	Dose	Co-administered	Analyte	Population
36% EXPERIMENT https://www.ncbi.nlm.nih.gov/pubmed/28436712			GALUNISERTIB plasma	Homo sapiens population: UNKNOWN age: UNKNOWN sex: UNKNOWN food status: UNKNOWN

Sourcing

Vendor/Aggregator	ID	URL
001 Chemical	DY116175	https://www.001chemical.com/chem/search?q=DY116175
1PlusChem LLC	1P003497	https://www.1pchem.com/search?query=1P003497
A2B Chem	AB44683	http://a2bchem.com/prod/AB44683
AA Blocks	AA0033PR	http://aablocks.com/goods/Goods/detail?id=AA0033PR
AChemBlock	10348	http://www.achemblock.com/catalogsearch/result/?q=10348
AK Scientific	2180AH	https://aksci.com/item_detail.php?cat=2180AH
AK Scientific	X7574	https://aksci.com/item_detail.php?cat=X7574
Ambeed	A150887	http://www.ambeed.com/search/Search.html?keyword=A150887
Angene	AGN-PC-0MYLJ5	http://www.angenechemical.com/productshow/AGN-PC-0MYLJ5.html
AOBIOUS INC	AOB87326	http://aobious.com/aobious/search?search_query=AOB87326
ApexBio Technology	A8348	https://www.apexbt.com/catalogsearch/result/?q=A8348
AstaTech	87769	http://astatechinc.com/CPSResult.php?CRNO=87769
Axon MedChem	1491	https://www.axonmedchem.com/product/1491
BLD Pharm	BD263065	http://www.bldpharm.com/search/Search.html?keyword=BD263065
BOC Sciences	700874-72-2	http://www.bocsci.com/description.asp?cas=700874-72-2
Capot Chemical	22590	https://www.capotchem.com/search.do?q=22590
Cayman Chemical	15312	http://www.caymanchem.com/app/template/Product.vm/catalog/15312
Chem Scene	CS-0474	http://www.chemscene.com/goproductList/searchProductList?productObj=CS-0474
ChemShuttle	104837	https://www.chemshuttle.com/catalogsearch/result/?q=104837
Combi-Blocks	QM-0902	http://www.combi-blocks.com/cgi-bin/find.cgi?QM-0902
eMolecules	36366152	https://orderbb.emolecules.com/search/#?query=36366152
eMolecules	56967761	https://orderbb.emolecules.com/search/#?query=56967761
eNovation Chemicals	D572822	https://www.enovationchem.com/Products.asp?SEARCHTEXT=D572822&searchbtn.x=0&searchbtn.y=0
Excenen	EX-A009	http://www.excenen.com/searchresultlist.php?id=EX-A009
Fluorochem	340506	http://www.fluorochem.co.uk/Products/Product?code=340506
Hairui	GASA043	http://www.hairuichem.com/en/product/search.do?q=GASA043
KeyOrganics	AS-42940	http://www.keyorganicsinc.com/bionet/catalogsearch/result?q=AS-42940
Lab Network	LN01291167	https://labnetwork.com/frontend-app/p/#!/moleculedetails/LN01291167
Lab Seeker	SC-85597	http://www.labseeker.com/search.php?keywords=SC-85597&category=0
LabSeeker	SC-85597	http://www.labseeker.com/search.php?keywords=SC-85597&category=0
Matrix Scientific	131678	http://www.matrixscientific.com/131678.html
mcule	MCULE-2583993241	https://mcule.com/MCULE-2583993241/
MedChem Express	HY-13226	https://www.medchemexpress.com/search.html?q=HY-13226&ft=&fa=&fp=
Molcore	MC116175	http://www.molcore.com/CatMC116175.html
Molnova	M15689	https://www.molnova.com/en/serch-list.html?keywords=M15689
MolPort	MolPort-020-000-498	https://www.molport.com/shop/molecule-link/MolPort-020-000-498
MuseChem	I004629	https://www.musechem.com/product/I004629.html
Ryan Scientific	Saxagliptin_hydrate	https://ryansci.com/products?q=Saxagliptin_hydrate&list_q=&search_type=exact
Selleck Chemicals	S2230	http://www.selleckchem.com/search.html?searchDTO.searchParam=S2230
ShangHai Biochempartner	BCP000261	http://www.biochempartner.com/search_BCP000261
ShangHai Biochempartner	BCP02173	http://www.biochempartner.com/search_BCP02173
TargetMol	T2510	https://www.targetmol.com/search?keyword=T2510
W&J PharmaChem	50C1239122	http://wjpharmachem.com/new/searcht.php?keyword=50C1239122
Wonderchem	WD03ZLQ	http://www.wonder-chem.com/search.html?text=WD03ZLQ

PubMed

Title	Date	PubMed
TGFβR1 Blockade with Galunisertib (LY2157299) Enhances Anti-Neuroblastoma Activity of the Anti-GD2 Antibody Dinutuximab (ch14.18) with Natural Killer Cells.	2017-02-01	27756784
Galunisertib (LY2157299), a transforming growth factor-β receptor I kinase inhibitor, attenuates acute pancreatitis in rats.	2016-08-08	27509307
Galunisertib inhibits glioma vasculogenic mimicry formation induced by astrocytes.	2016-03-15	26976322
Assessment of In Vivo Clinical Product Performance of a Weak Basic Drug by Integration of In Vitro Dissolution Tests and Physiologically Based Absorption Modeling.	2015-11	26126932
Effects of TGF-beta signalling inhibition with galunisertib (LY2157299) in hepatocellular carcinoma models and in ex vivo whole tumor tissue samples from patients.	2015-08-28	26057634
Pharmacokinetic, pharmacodynamic and biomarker evaluation of transforming growth factor-β receptor I kinase inhibitor, galunisertib, in phase 1 study in patients with advanced cancer.	2015-04	25529192
Clinical development of galunisertib (LY2157299 monohydrate), a small molecule inhibitor of transforming growth factor-beta signaling pathway.	2015	26309397

Patents

Sample Use Guides

In Vivo Use Guide

Patients receive 150 milligrams of galunisertib, given orally twice daily for 14 days followed by 14 days with no study drug (28 day cycles).

Route of Administration: Oral

In Vitro Use Guide

JHH6, SK-HEP1, SK-Sora, HepG2, Hep3B, and HuH7 cells were simultaneously exposed to 0.1, 1, 10, and 100 uM galunisertib with 5 uM sorafenib in presence of TGF-beta for 72 hours.

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:10:08 GMT 2025` Edited by `admin` on `Mon Mar 31 18:10:08 GMT 2025`
Record UNII	338K210Q5W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LY-2157299 MONOHYDRATE

Preferred Name

English

GALUNISERTIB MONOHYDRATE

Common Name

English

Galunisertib monohydrate [WHO-DD]

Common Name

English

6-QUINOLINECARBOXAMIDE, 4-(5,6-DIHYDRO-2-(6-METHYL-2-PYRIDINYL)-4H-PYRROLO(1,2-B)PYRAZOL-3-YL)-, HYDRATE (1:1)

Systematic Name

English

Code System Code Type Description

CAS

924898-09-9