GALUNISERTIB MONOHYDRATE

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	C22H19N5O
Molecular Weight	369.4192
Charge	0
Count

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

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

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 8297		56.0 nM [IC50]

Conditions

Condition	Modality	Highest Phase	Product
Myelodysplastic syndromes 58 Sources: https://clinicaltrials.gov/ct2/show/NCT02008318	Primary	Phase III 656	Unknown Approved Use Unknown
Prostate cancer 178 Sources: https://clinicaltrials.gov/ct2/show/NCT02452008	Primary	Phase II 1132	Unknown Approved Use Unknown
Rectal adenocarcinoma 2 Sources: https://clinicaltrials.gov/ct2/show/NCT02688712	Primary	Phase II 1132	Unknown Approved Use Unknown
Hepatocellular carcinoma 83 Sources: https://clinicaltrials.gov/ct2/show/NCT02178358	Primary	Phase II 1132	Unknown Approved Use Unknown
Breast cancer 434 Sources: https://clinicaltrials.gov/ct2/show/NCT02538471	Primary	Phase II 1132	Unknown Approved Use Unknown
Pancreatic ductal adenocarcinoma 14 Sources: https://clinicaltrials.gov/ct2/show/NCT02981342	Primary	Phase II 1132	Unknown Approved Use Unknown
Glioblastoma 65 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26902851	Primary	Phase II 1132	Unknown Approved Use 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
AOBIOUS INC	AOB87326	http://aobious.com/aobious/search?search_query=AOB87326
Ambeed	A150887	http://www.ambeed.com/search/Search.html?keyword=A150887
Angene	AGN-PC-0MYLJ5	http://www.angenechemical.com/productshow/AGN-PC-0MYLJ5.html
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
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
MedChem Express	HY-13226	https://www.medchemexpress.com/search.html?q=HY-13226&ft=&fa=&fp=
MolPort	MolPort-020-000-498	https://www.molport.com/shop/molecule-link/MolPort-020-000-498
Molcore	MC116175	http://www.molcore.com/CatMC116175.html
Molnova	M15689	https://www.molnova.com/en/serch-list.html?keywords=M15689
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
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
mcule	MCULE-2583993241	https://mcule.com/MCULE-2583993241/

PubMed

Title	Date	PubMed
Galunisertib inhibits glioma vasculogenic mimicry formation induced by astrocytes.	2016 Mar 15	26976322

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 `Fri Dec 15 15:49:43 GMT 2023` Edited by `admin` on `Fri Dec 15 15:49:43 GMT 2023`
Record UNII	338K210Q5W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GALUNISERTIB MONOHYDRATE

Common Name

English

LY-2157299 MONOHYDRATE

Code

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