Grouped product items

SKU

Size

Availability

Price

Qty

B127837-5mg

5mg

Available within 4-8 weeks(?)

$59.90

B127837-25mg

25mg

Available within 4-8 weeks(?)

$270.90

B127837-100mg

100mg

Available within 4-8 weeks(?)

$347.90

Basic Description

Synonyms	9H-purin-2-amine, 6-chloro-9-((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)- \| MFCD15528939 \| BIIB 021 [WHO-DD] \| NCGC00247877-01 \| 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]purin-2-amine \| BIIB021,CNF2024 \| DTXSID601025952 \| SCHEMBL1791028 \| H
Specifications & Purity	Moligand™, ≥98%
Biochemical and Physiological Mechanisms	Oral administration of BIIB021 leads to tumor growth inhibition in many tumor xenograft models including N87, BT474, CWR22, U87, SKOV3 and Panc-1. BIIB021 effectively inhibits growth of L540cy tumor at a dose of 120 mg/kg. BIIB021 significantly enhances a
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Heat shock protein HSP90 inhibitor
Note	Refer to SDS for further information Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Product Description	BIIB021 is an orally available, fully synthetic small-molecule inhibitor of HSP90 with Ki and EC50 of 1.7 nM and 38 nM, respectively. A selective large conductance calcium activated potassium channel activator

Product Properties

ALogP	1.9

Associated Targets(Human)

HSP90B1 Tchem Endoplasmin (1 Activities)

Discover Target: HSP90B1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TRAP1 Tchem Heat shock protein 75 kDa, mitochondrial (3 Activities)

Discover Target: TRAP1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HSP90AA1 Tchem Heat shock protein HSP 90-alpha (11 Activities)

Discover Target: HSP90AA1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HSP90AB1 Tchem Heat shock protein HSP 90-beta (10 Activities)

Discover Target: HSP90AB1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CARM1 Tchem Histone-arginine methyltransferase CARM1 (1 Activities)

Discover Target: CARM1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HSP90AA1 Tchem Heat shock protein HSP 90-alpha (4115 Activities)

Discover Target: HSP90AA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HSP90AB1 Tchem Heat shock protein HSP 90-beta (1689 Activities)

Discover Target: HSP90AB1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BT-474 (2113 Activities)

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Caco-2 (12174 Activities)

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HL-60 (67320 Activities)

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MCF7 (126967 Activities)

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MDA-MB-468 (9477 Activities)

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NCI-H1975 (4994 Activities)

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NCI-N87 (850 Activities)

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PANC-1 (6144 Activities)

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SK-BR-3 (5175 Activities)

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SK-OV-3 (52876 Activities)

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A549 (127892 Activities)

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NCI-H1299 (3248 Activities)

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HCT-116 (91556 Activities)

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HepG2 (196354 Activities)

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NCI-H460 (60772 Activities)

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HUVEC (11049 Activities)

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MDA-MB-231 (73002 Activities)

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Liver microsomes (16955 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HSP90B1 Tchem Endoplasmin (514 Activities)

Discover Target: HSP90B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TRAP1 Tchem Heat shock protein 75 kDa, mitochondrial (274 Activities)

Discover Target: TRAP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HSP90AA1 Tchem Heat shock protein HSP90 (3606 Activities)

Discover Target: HSP90AA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Hep 3B2 (2332 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HD1 Histone deacetylase (38 Activities)

Discover Target: HD1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Caulobacter vibrioides (128 Activities)

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Escherichia coli (133304 Activities)

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Bacillus subtilis (32866 Activities)

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Mus musculus (284745 Activities)

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4T1 (1737 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HSP90B1 Heat shock protein 90 beta (139 Activities)

Discover Target: HSP90B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasma (328 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

phoQ Virulence sensor histidine kinase phoQ (45 Activities)

Discover Target: phoQ

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

divJ Histidine protein kinase DivJ (27 Activities)

Discover Target: divJ

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

cckA Cell cycle histidine kinase CckA (37 Activities)

Discover Target: cckA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SARS-CoV-2 (38078 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]purin-2-amine
INCHI	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)
InChi Key	QULDDKSCVCJTPV-UHFFFAOYSA-N
Canonical SMILES	CC1=CN=C(C(=C1OC)C)CN2C=NC3=C2N=C(N=C3Cl)N
Isomeric SMILES	CC1=CN=C(C(=C1OC)C)CN2C=NC3=C2N=C(N=C3Cl)N
PubChem CID	16736529
Molecular Weight	318.77

Database links

PubChem CID	16736529
ChEMBL Ligand	CHEMBL467399
CAS Registry No.	848695-25-0
RCSB PDB Ligand	94M

Certificates

Certificate of Analysis(COA)

Enter Lot Number to search for COA:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot Number	Certificate Type	Date	Item
F1606062	Certificate of Analysis	Oct 18, 2023	B127837
L2219183	Certificate of Analysis	Jan 09, 2023	B127837

Chemical and Physical Properties

Solubility	DMSO ≥60mg/mL Water <1.2mg/mL Ethanol ≥1.8mg/mL

Safety and Hazards(GHS)

Pictogram(s)	GHS07
Signal	Warning
Hazard Statements	H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation
Precautionary Statements	P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell.

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Ye Liu, Jiaqi Liu, Renmei Zhang, Yan Guo, Hongbo Wang, Qingguo Meng, Yuan Sun, Zongliang Liu. (2019) Synthesis, Characterization, and Anticancer Activities Evaluation of Compounds Derived from 3,4-Dihydropyrimidin-2(1H)-one. MOLECULES, 24 (5): (891). [PMID:30832453] [10.3390/molecules24050891]

References

1. Ernst JT, Liu M, Zuccola H, Neubert T, Beaumont K, Turnbull A, Kallel A, Vought B, Stamos D. (2014) Correlation between chemotype-dependent binding conformations of HSP90α/β and isoform selectivity-Implications for the structure-based design of HSP90α/β selective inhibitors for treating neurodegenerative diseases.. Bioorg Med Chem Lett, 24 (1): (204-8). [PMID:24332488] [10.1021/op500134e]
2. Ye Liu, Jiaqi Liu, Renmei Zhang, Yan Guo, Hongbo Wang, Qingguo Meng, Yuan Sun, Zongliang Liu. (2019) Synthesis, Characterization, and Anticancer Activities Evaluation of Compounds Derived from 3,4-Dihydropyrimidin-2(1H)-one. MOLECULES, 24 (5): (891). [PMID:30832453] [10.3390/molecules24050891]

Solution Calculators

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BIIB021 - ≥98%, high purity , Heat shock protein HSP90 inhibitor, CAS No.848695-25-0, Heat shock protein HSP90 inhibitor

Basic Description

Product Properties

Associated Targets(Human)

Associated Targets(non-human)

Mechanisms of Action

Names and Identifiers

Database links

Certificates

Certificate of Analysis(COA)

Chemical and Physical Properties

Safety and Hazards(GHS)

Related Documents

Citations of This Product

References

Solution Calculators

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

SKU	Size	Availability	Price
B127837-5mg	5mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$59.90
B127837-25mg	25mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$270.90
B127837-100mg	100mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$347.90