This is a demo store. No orders will be fulfilled.

 
Call +1 (833) 552-7181 or Contact us
Toggle Nav
My Cart
Search
Advanced Search
Menu
Account
Settings
྾
main product photo

PU-H71 - ≥98%, high purity , CAS No.873436-91-0

1 Citations COA COA
In stock
Item Number
P126239
Grouped product items
SKU Size
Availability
 Price Qty
P126239-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$53.90
P126239-10mg
10mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$84.90
P126239-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$169.90
P126239-50mg
50mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$305.90
P126239-100mg
100mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$549.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet

Potent Hsp90 inhibitor

View related series
Amino Acid/Protein Metabolism (1836) DNA Damage (697) Small molecule inhibitors (10)

Basic Description

Synonyms DivK1c_006639 | Oprea1_485666 | STR09510 | UNII-06IVK87M04 | PU-H71, d6 | HMS3653N04 | J-690375 | SB17115 | 06IVK87M04 | FT-0700388 | HY-11038 | PU-H 71 | STK400094 | CAS#873436-91-0 | 9H-Purine-9-propanamine, 6-amino-8-((6-iodo-1,3-benzodioxol-5-yl)thio)
Specifications & Purity Moligand™, ≥98%
Biochemical and Physiological Mechanisms Potent inhibitor of heat shock protein 90 (Hsp90) (IC50= 51 nM in MDA-MB-468 cells). Also inhibits cell growth in a range of breast cancer cell lines (IC50values are 17, 31, 65, 87 and 140 nM for SKBr3, MCF-7, MDA-MB-468, HCC-1806 and MDA-MB-231 cells res
Storage Temp Protected from light,Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade Moligand™
Product Description

PU-H71 is a potent and selective inhibitor of HSP90 with IC50 of 51 nM. Phase 1

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organosulfur compounds
Class Thioethers
Subclass Aryl thioethers
Intermediate Tree Nodes Not available
Direct Parent Diarylthioethers
Alternative Parents 6-aminopurines  Benzodioxoles  Thiophenol ethers  Aminopyrimidines and derivatives  N-substituted imidazoles  Imidolactams  Aryl iodides  Heteroaromatic compounds  Sulfenyl compounds  Oxacyclic compounds  Acetals  Dialkylamines  Azacyclic compounds  Hydrocarbon derivatives  Organoiodides  Organopnictogen compounds  Primary amines  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Diarylthioether - 6-aminopurine - Benzodioxole - Imidazopyrimidine - Purine - Thiophenol ether - Aminopyrimidine - Aryl halide - Aryl iodide - N-substituted imidazole - Pyrimidine - Benzenoid - Imidolactam - Azole - Imidazole - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Sulfenyl compound - Oxacycle - Acetal - Secondary amine - Secondary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Amine - Organohalogen compound - Organoiodide - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
External Descriptors Not available

Associated Targets(Human)

HSP90B1 Tchem Endoplasmin (3 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
TRAP1 Tchem Heat shock protein 75 kDa, mitochondrial (6 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
HSP90AA1 Tchem Heat shock protein HSP 90-alpha (8 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
HSP90AB1 Tchem Heat shock protein HSP 90-beta (7 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
HSP90AA1 Tchem Heat shock protein HSP 90-alpha (4115 Activities)
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)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MCF7 (126967 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MDA-MB-468 (9477 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MRC5 (9203 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
NCI-H417 (34 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PC-3 (62116 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SK-BR-3 (5175 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
NCI-H1299 (3248 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
NCI-H460 (60772 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HeLa (62764 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HSP90B1 Tchem Endoplasmin (514 Activities)
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)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HSP90AA1 Tchem Heat shock protein HSP90 (3606 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
LN-229 (376 Activities)
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)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Caulobacter vibrioides (128 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Escherichia coli (133304 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Bacillus subtilis (32866 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Schistosoma mansoni (6170 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HSP90B1 Heat shock protein 90 beta (139 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
phoQ Virulence sensor histidine kinase phoQ (45 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
divJ Histidine protein kinase DivJ (27 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
cckA Cell cycle histidine kinase CckA (37 Activities)
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 8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[3-(propan-2-ylamino)propyl]purin-6-amine
INCHI InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23)
InChIKey SUPVGFZUWFMATN-UHFFFAOYSA-N
Smiles CC(C)NCCCN1C2=NC=NC(=C2N=C1SC3=C(C=C4C(=C3)OCO4)I)N
Isomeric SMILES CC(C)NCCCN1C2=NC=NC(=C2N=C1SC3=C(C=C4C(=C3)OCO4)I)N
Alternate CAS 2095432-24-7；1202865-65-3
Molecular Weight 512.37
Reaxy-Rn 10389874
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10389874&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Solubility Solvent:DMSO, Max Conc. mg/mL: 51.24, Max Conc. mM: 100; Solvent:1eq. HCl, Max Conc. mg/mL: 51.24, Max Conc. mM: 100
Sensitivity light sensitive
Molecular Weight 512.400 g/mol
XLogP3 3.200
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 7
Exact Mass 512.049 Da
Monoisotopic Mass 512.049 Da
Topological Polar Surface Area 125.000 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 520.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Alternative Products

  1. PU-H71
    PU-H71
    • 10mM in DMSO

    Starting at $241.90

Citations of This Product

How to Cite Aladdin Scientific Products?
1. Li Peng, Bai Chujie, Zhan Lingmin, Zhang Haoran, Zhang Yuanyuan, Zhang Wuxia, Wang Yingdong, Zhao Jinzhong.  (2023)  Specific gene module pair-based target identification and drug discovery.  Frontiers in Pharmacology,  13   

Solution Calculators

Reviews

Customer Reviews

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.

Privacy Policy Website Terms of Use Return policy Terms and Conditions of Sale Cookie Policy Sales Policy
Products are chemical reagents for research use only and are not intended for human use. We do not sell to patients.
Copyright © 2023-present Aladdin Scientific Corp . All rights reserved.