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VER-49009 - 98%, high purity , CAS No.940289-57-6

COA COA
    Grade & Purity:
  • ≥98%
In stock
Item Number
V339324
Grouped product items
SKU Size
Availability
 Price Qty
V339324-1mg
1mg
3
$223.90
V339324-5mg
5mg
3
$942.90
V339324-10mg
10mg
2
$1,638.90
V339324-25mg
25mg
2
$3,687.90
V339324-50mg
50mg
2
$6,636.90
V339324-100mg
100mg
2
$11,946.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet

an inhibitor of Hsp90

Basic Description

Synonyms CCT0129397 | CCG-268494 | s7458 | AC-36114 | 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)pyrazole-3-carboxamide | Kinome_3578 | 5-(3-Chloro-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-N-ethyl-4-(4-methoxyphenyl)-2,5-dihydro-1H-pyrazole-3-
Specifications & Purity ≥98%
Storage Temp Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description

VER-49009 is a pyrazole compound that inhibits Hsp90, an abundant heat shock protein with roles in protein folding, cell signaling, and cancer. VER-49009 is a pyrazole compound that has been shown to inhibit Hsp90 with an IC|50|value of 47 nM, and has been documented to have a cellular antiproliferative GI|50|value of 685 nM when tested against a human cancer cell line panel. Consistent with inhibition of Hsp90, VER-49009 may induce the expression of HSP 27 and HSP 72 while reducing the client proteins C-RAF, B-RAF, survivin, and PRMT5, causing cell cycle arrest and apoptosis.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Azoles
Subclass Pyrazoles
Intermediate Tree Nodes Not available
Direct Parent Phenylpyrazoles
Alternative Parents 2-heteroaryl carboxamides  Anisoles  Methoxybenzenes  O-chlorophenols  P-chlorophenols  Phenoxy compounds  Pyrazole-5-carboxamides  Resorcinols  1-hydroxy-2-unsubstituted benzenoids  Alkyl aryl ethers  Chlorobenzenes  Aryl chlorides  Heteroaromatic compounds  Secondary carboxylic acid amides  Azacyclic compounds  Organic oxides  Hydrocarbon derivatives  Organochlorides  Organonitrogen compounds  Organopnictogen compounds  
Molecular Framework Aromatic heteromonocyclic compounds
Substituents Phenylpyrazole - 2-heteroaryl carboxamide - 2-chlorophenol - Phenoxy compound - 2-halophenol - Anisole - 4-chlorophenol - Phenol ether - Pyrazole-5-carboxamide - Resorcinol - 4-halophenol - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Chlorobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Benzenoid - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organochloride - Aromatic heteromonocyclic compound
Description This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
External Descriptors Not available

Associated Targets(Human)

HSP90AA1 Tchem Heat shock protein HSP 90-alpha (7 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
HSP90AB1 Tchem Heat shock protein HSP 90-beta (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
ROCK1 Tclin Rho-associated protein kinase 1 (4723 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PIM1 Tchem Serine/threonine-protein kinase PIM1 (9629 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PRKD3 Tchem Protein kinase C nu (2315 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ROCK2 Tclin Rho-associated protein kinase 2 (6206 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
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
CDK2 Tchem Cyclin-dependent kinase 2 (9050 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
RPS6KA3 Tchem Ribosomal protein S6 kinase alpha 3 (4284 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CSF1R Tclin Macrophage colony stimulating factor receptor (5179 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
DU-145 (51482 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
NCI-H1975 (4994 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
SK-MEL-28 (48833 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HCT-116 (91556 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HepG2 (196354 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SF-268 (49410 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PRKD2 Tchem Serine/threonine-protein kinase D2 (2847 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

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
HSC82 Heat shock protein HSP 90 (HSC82) (14 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

Mechanisms of Action

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

Names and Identifiers

Pubchem Sid 504762982
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504762982
IUPAC Name 3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
INCHI InChI=1S/C19H18ClN3O4/c1-3-21-19(26)18-16(10-4-6-11(27-2)7-5-10)17(22-23-18)12-8-13(20)15(25)9-14(12)24/h4-9,24-25H,3H2,1-2H3,(H,21,26)(H,22,23)
InChIKey HUNAOTXNHVALTN-UHFFFAOYSA-N
Smiles CCNC(=O)C1=C(C(=NN1)C2=CC(=C(C=C2O)O)Cl)C3=CC=C(C=C3)OC
Isomeric SMILES CCNC(=O)C1=C(C(=NN1)C2=CC(=C(C=C2O)O)Cl)C3=CC=C(C=C3)OC
Alternate CAS 558640-51-0
PubChem CID 4369536
Molecular Weight 387.8

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

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

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

6 results found

Lot Number Certificate Type Date Item
K2217917 Certificate of Analysis Aug 22, 2022 V339324
K2217961 Certificate of Analysis Aug 22, 2022 V339324
K22171030 Certificate of Analysis Aug 22, 2022 V339324
K2217960 Certificate of Analysis Aug 22, 2022 V339324
K2217916 Certificate of Analysis Aug 22, 2022 V339324
K22171020 Certificate of Analysis Aug 22, 2022 V339324

Chemical and Physical Properties

Refractive Index n20D1.64 (Predicted)
Boil Point(°C) ~620.2° C at 760 mmHg (Predicted)
Melt Point(°C) 289.19° C (Predicted)
Molecular Weight 387.800 g/mol
XLogP3 3.400
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 387.099 Da
Monoisotopic Mass 387.099 Da
Topological Polar Surface Area 107.000 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 503.000
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

Solution Calculators

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