BMS-863233 HYDROCHLORIDE

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C14H12ClN3O2.ClH
Molecular Weight	326.178
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.[H][C@]1(CCCN1)C2=NC3=C(OC4=C3C=C(Cl)C=C4)C(=O)N2

InChI

InChIKey=UNDKJUKLBNARIZ-FVGYRXGTSA-N

InChI=1S/C14H12ClN3O2.ClH/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9;/h3-4,6,9,16H,1-2,5H2,(H,17,18,19);1H/t9-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Molecular Formula	C14H12ClN3O2
Molecular Weight	289.717
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/22560567
Curator's Comment: description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/20647475

BMS-863233, also known as XL413, is a potent and selective cell division cycle 7 (CDC7) kinase inhibitor with potential antineoplastic activity. BMS-863233 binds to and inhibits the activity of CDC7, which may result in the inhibition of DNA replication and mitosis, the induction of tumor cell apoptosis, and the inhibition of tumor cell proliferation in CDC7-overexpressing tumor cells. CDC7, a serine-threonine kinase overexpressed in a variety of tumor cell types, plays an essential role in the initiation of DNA replication by activating origins of replication.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Potency
Cell division cycle 7-related protein kinase 5 Target ID: CHEMBL5443 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22560567	Inhibitor 8297	3.4 nM [IC50]
Casein kinase II alpha/beta 2 Target ID: CHEMBL3038477 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22560567	Inhibitor 8297	215.0 nM [IC50]
Serine/threonine-protein kinase PIM1 13 Target ID: CHEMBL2147 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22560567	Inhibitor 8297	42.0 nM [IC50]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Refractory hematologic cancer 4 Sources: https://clinicaltrials.gov/ct2/show/NCT00838890	Primary		Phase I 428	BMS-63233 Approved Use Unknown
Advanced solid cancer 28 Sources: https://clinicaltrials.gov/ct2/show/study/NCT00886782	Primary		Phase I 428	BMS-63233 Approved Use Unknown

Sourcing

Vendor/Aggregator	ID	URL
001 Chemical	DY34539	https://www.001chemical.com/chem/search?q=DY34539
1PlusChem LLC	1P01EQNL	https://www.1pchem.com/search?query=1P01EQNL
Ambeed	A368616	http://www.ambeed.com/search/Search.html?keyword=A368616
ApexBio Technology	B1015	https://www.apexbt.com/catalogsearch/result/?q=B1015
ApexBio Technology	B1232	https://www.apexbt.com/catalogsearch/result/?q=B1232
AstaTech	44369	http://astatechinc.com/CPSResult.php?CRNO=44369
AstaTech	C14260	http://astatechinc.com/CPSResult.php?CRNO=C14260
Axon MedChem	2268	https://www.axonmedchem.com/product/2268
BLD Pharm	BD629944	http://www.bldpharm.com/search/Search.html?keyword=BD629944
Chem Scene	CS-1957	http://www.chemscene.com/goproductList/searchProductList?productObj=CS-1957
ChemShuttle	140571	https://www.chemshuttle.com/catalogsearch/result/?q=140571
Debye Scientific	DA-35012	https://www.debyesci.com/index.php?id=product&ext[cno]=DA-35012
Debye Scientific	DA-35013	https://www.debyesci.com/index.php?id=product&ext[cno]=DA-35013
Excenen	EX-A246	http://www.excenen.com/searchresultlist.php?id=EX-A246
KeyOrganics	AS-56982	http://www.keyorganicsinc.com/bionet/catalogsearch/result?q=AS-56982
Lab Network	LN01341960	https://labnetwork.com/frontend-app/p/#!/moleculedetails/LN01341960
MedChem Express	HY-15260A	https://www.medchemexpress.com/search.html?q=HY-15260A&ft=&fa=&fp=
MolPort	MolPort-035-789-679	https://www.molport.com/shop/molecule-link/MolPort-035-789-679
MolPort	MolPort-046-033-687	https://www.molport.com/shop/molecule-link/MolPort-046-033-687
Molcore	MC34539	http://www.molcore.com/CatMC34539.html
MuseChem	I000605	https://www.musechem.com/product/I000605.html
Selleck Chemicals	S7547	http://www.selleckchem.com/search.html?searchDTO.searchParam=S7547
ShangHai Biochempartner	BCP08741	http://www.biochempartner.com/search_BCP08741
ShangHai Biochempartner	BCP20703	http://www.biochempartner.com/search_BCP20703
Tocris	5493	https://www.tocris.com/search.php?Type=QuickSearch&Value=5493
Toronto Research Chemicals	A100823	https://www.trc-canada.com/product-detail/?CatNum=A100823
eMolecules	266610527	https://orderbb.emolecules.com/search/#?query=266610527
eMolecules	295160079	https://orderbb.emolecules.com/search/#?query=295160079
eMolecules	295161378	https://orderbb.emolecules.com/search/#?query=295161378
eMolecules	295311815	https://orderbb.emolecules.com/search/#?query=295311815
eMolecules	49837446	https://orderbb.emolecules.com/search/#?query=49837446
eNovation Chemicals	D388307	https://www.enovationchem.com/Products.asp?SEARCHTEXT=D388307&searchbtn.x=0&searchbtn.y=0
eNovation Chemicals	D544555	https://www.enovationchem.com/Products.asp?SEARCHTEXT=D544555&searchbtn.x=0&searchbtn.y=0
mcule	MCULE-1626969379	https://mcule.com/MCULE-1626969379/
mcule	MCULE-2920977675	https://mcule.com/MCULE-2920977675/
mcule	MCULE-3588914228	https://mcule.com/MCULE-3588914228/
mcule	MCULE-8903194914	https://mcule.com/MCULE-8903194914/

PubMed

Title	Date	PubMed
Discovery of XL413, a potent and selective CDC7 inhibitor.	2012 Jun 1	22560567

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Prolonged treatment with BMS-863233 (XL413) during 3 days inhibited the cell proliferation (IC50 = 2685 nM), decreased cell viability (IC50 = 2142 nM) and elicited the caspase 3/7 activity (EC50 = 2288 nM) in human colorectal adenocarcinoma Colo-205 cells.

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:42:11 GMT 2023` Edited by `admin` on `Fri Dec 15 17:42:11 GMT 2023`
Record UNII	JG305JRH1Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BMS-863233 HYDROCHLORIDE

Common Name

English

BENZOFURO(3,2-D)PYRIMIDIN-4(3H)-ONE, 8-CHLORO-2-((2S)-2-PYRROLIDINYL)-, MONOHYDROCHLORIDE

Common Name

English

Code System Code Type Description

PUBCHEM

135564631

Created by admin on Fri Dec 15 17:42:11 GMT 2023 , Edited by admin on Fri Dec 15 17:42:11 GMT 2023

PRIMARY

DRUG BANK

DBSALT002181

Created by admin on Fri Dec 15 17:42:11 GMT 2023 , Edited by admin on Fri Dec 15 17:42:11 GMT 2023

PRIMARY

CAS

1169562-71-3

Created by admin on Fri Dec 15 17:42:11 GMT 2023 , Edited by admin on Fri Dec 15 17:42:11 GMT 2023

PRIMARY

FDA UNII

JG305JRH1Z

Created by admin on Fri Dec 15 17:42:11 GMT 2023 , Edited by admin on Fri Dec 15 17:42:11 GMT 2023

PRIMARY

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					8QK62S7492

BMS-863233

ACTIVE MOIETY

Details

SMILES

InChI

DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/22560567Curator's Comment: description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/20647475

Originator

Approval Year

Targets

Conditions

Approved Use

Approved Use

Sourcing

PubMed

Patents

Sample Use Guides

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/22560567
Curator's Comment: description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/20647475