BIIB-021

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H15ClN6O
Molecular Weight	318.761
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(C)C(CN2C=NC3=C2N=C(N)N=C3Cl)=NC=C1C

InChI

InChIKey=QULDDKSCVCJTPV-UHFFFAOYSA-N

InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)

HIDE SMILES / InChI

Molecular Formula	C14H15ClN6O
Molecular Weight	318.761
Charge	0
Count

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

Description
Sources: http://www.eurodiagnostico.com/media/pdf/BIIB021.pdf | https://www.ncbi.nlm.nih.gov/pubmed/19372565 | https://www.ncbi.nlm.nih.gov/pubmed/19372565 | https://www.ncbi.nlm.nih.gov/pubmed/28443462

BIIB021 binds in the ATP-binding pocket of Hsp90, interferes with Hsp90 chaperone function, and results in client protein degradation and tumor growth inhibition. Hsp90 is overexpressed in many types of cancer and acts to stabilize malignancy producing oncoproteins. Therefore, inhibition of Hsp90 with BIIB021 leads to the degradation of oncoproteins that drive malignancy.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Heat shock protein HSP 90-alpha 12 Target ID: P07900 Gene ID: 3320.0 Gene Symbol: HSP90AA1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/28443462	Inhibitor 8504		1.7 nM [Kd]

Conditions

Condition	Modality	Highest Phase	Product
Hormone receptor positive metastatic breast cancer 3 Sources: https://clinicaltrials.gov/ct2/show/NCT01004081	Primary	Phase II 1147	Unknown Approved Use Unknown
Gastrointestinal stromal tumor 20 Sources: https://clinicaltrials.gov/ct2/show/NCT00618319	Primary	Phase II 1147	Unknown Approved Use Unknown
Advanced solid cancer 30 Sources: https://clinicaltrials.gov/ct2/show/NCT00618735	Primary	Phase I 438	Unknown Approved Use Unknown

C_max

Value	Dose	Co-administered	Analyte	Population
1439 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22898035	600 mg single, oral dose: 600 mg route of administration: Oral experiment type: SINGLE co-administered:		BIIB021 plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED

AUC

Value	Dose	Co-administered	Analyte	Population
2942 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22898035	600 mg single, oral dose: 600 mg route of administration: Oral experiment type: SINGLE co-administered:		BIIB021 plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED

T_1/2

Value	Dose	Co-administered	Analyte	Population
1.5 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/24097863/	600 mg 2 times / week multiple, oral dose: 600 mg route of administration: Oral experiment type: MULTIPLE co-administered:		BIIB021 plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: UNKNOWN food status: UNKNOWN

Sourcing

Vendor/Aggregator	ID	URL
001 Chemical	DY114914	https://www.001chemical.com/chem/search?q=DY114914
1PlusChem LLC	1P008GHO	https://www.1pchem.com/search?query=1P008GHO
A2B Chem	AD93820	http://a2bchem.com/prod/AD93820
Aceschem	ACS019844	https://www.aceschem.com/catalog/search.do?q=ACS019844
AK Scientific	X7555	https://aksci.com/item_detail.php?cat=X7555
Angene	AGN-PC-0153GZ	http://www.angenechemical.com/productshow/AGN-PC-0153GZ.html
AOBIOUS INC	AOB4502	http://aobious.com/aobious/search?search_query=AOB4502
ApexBio Technology	A4058	https://www.apexbt.com/catalogsearch/result/?q=A4058
AstaTech	F14744	http://astatechinc.com/CPSResult.php?CRNO=F14744
Axon MedChem	1543	https://www.axonmedchem.com/product/1543
BLD Pharm	BD239160	http://www.bldpharm.com/search/Search.html?keyword=BD239160
BOC Sciences	848695-25-0	http://www.bocsci.com/description.asp?cas=848695-25-0
Capot Chemical	33968	https://www.capotchem.com/search.do?q=33968
Cayman Chemical	18269	http://www.caymanchem.com/app/template/Product.vm/catalog/18269
ChemShuttle	101610	https://www.chemshuttle.com/catalogsearch/result/?q=101610
eMolecules	32176503	https://orderbb.emolecules.com/search/#?query=32176503
eNovation Chemicals	K04632	https://www.enovationchem.com/Products.asp?SEARCHTEXT=K04632&searchbtn.x=0&searchbtn.y=0
Excenen	EX-A681	http://www.excenen.com/searchresultlist.php?id=EX-A681
Hairui	HR32997	http://www.hairuichem.com/en/product/search.do?q=HR32997
KeyOrganics	AS-55914	http://www.keyorganicsinc.com/bionet/catalogsearch/result?q=AS-55914
Lab Network	LN00198286	https://labnetwork.com/frontend-app/p/#!/moleculedetails/LN00198286
Matrix Scientific	97210	http://www.matrixscientific.com/097210.html
mcule	MCULE-8620288391	https://mcule.com/MCULE-8620288391/
MedChem Express	HY-10212	https://www.medchemexpress.com/search.html?q=HY-10212&ft=&fa=&fp=
Molcore	MC114914	http://www.molcore.com/CatMC114914.html
Molnova	M16162	https://www.molnova.com/en/serch-list.html?keywords=M16162
MolPort	MolPort-016-633-188	https://www.molport.com/shop/molecule-link/MolPort-016-633-188
MuseChem	I005088	https://www.musechem.com/product/I005088.html
Princeton BioMolecular Research	PBMR221915	http://www.princetonbio.com/order_online?common_id=PBMR221915
Ryan Scientific	LDN-214117	https://ryansci.com/products?q=LDN-214117&list_q=&search_type=exact
ShangHai Biochempartner	BCP000249	http://www.biochempartner.com/search_BCP000249
ShangHai Biochempartner	BCP02111	http://www.biochempartner.com/search_BCP02111
TargetMol	T2286	https://www.targetmol.com/search?keyword=T2286
Tocris	4608	https://www.tocris.com/search.php?Type=QuickSearch&Value=4608
Toronto Research Chemicals	B384500	https://www.trc-canada.com/product-detail/?CatNum=B384500
Toronto Research Chemicals	B685030	https://www.trc-canada.com/product-detail/?CatNum=B685030

PubMed

Title	Date	PubMed
		252160238
Rationally designed high-affinity 2-amino-6-halopurine heat shock protein 90 inhibitors that exhibit potent antitumor activity.	2007 Jun 14	17488003
BIIB021, an orally available, fully synthetic small-molecule inhibitor of the heat shock protein Hsp90.	2009 Apr	19372565
Heat shock protein 90 inhibitor BIIB021 (CNF2024) depletes NF-kappaB and sensitizes Hodgkin's lymphoma cells for natural killer cell-mediated cytotoxicity.	2009 Aug 15	19671844
An investigation into the potential use of serum Hsp70 as a novel tumour biomarker for Hsp90 inhibitors.	2010 Feb	19747088

Patents

Sample Use Guides

In Vivo Use Guide

In a phase II clinical trial, breast cancer patients were treated with either 100 mg twice daily + exemestane 25 mg once per day for 28 days, or 450 mg three times weekly + exemestane 25 mg once per day.

Route of Administration: Oral

In Vitro Use Guide

BIIB021 was investigated as an inhibitor of heat shock protein 90 (Hsp90) alone and in combination with triptolide (TPL) on T-cell acute lymphoblastic leukemia. The cell viability of Human T-ALL cell line Molt-4 was measured using MTT assay. Molt-4 cells were treated with BIIB021 (50-800 nmol/L) which inhibited the cell growth in a dose-dependent manner. The IC50 value was 384.6 and 301.8 nmol/L, respectively, at 48 and 72 h.

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:04:43 GMT 2025` Edited by `admin` on `Mon Mar 31 18:04:43 GMT 2025`
Record UNII	851B9FQ7Q0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BIIB 021

Preferred Name

English

BIIB-021

Code

English

CNF-2024

Common Name

English

CNF2024

Code

English

BIIB 021 [WHO-DD]

Common Name

English

BIIB021

Common Name

English

(6-CHLORO-9-(4-METHOXY-3,5-DIMETHYLPYRIDIN-2-YLMETHYL)-9H-PURIN-2-YL)AMINE

Systematic Name

English

CF1983

Common Name

English

9H-PURIN-2-AMINE, 6-CHLORO-9-((4-METHOXY-3,5-DIMETHYL-2-PYRIDINYL)METHYL)-

Systematic Name

English

Code System Code Type Description

CAS

848695-25-0