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MedKoo Cat#: 571301 | Name: PU-H54
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

PU-H54 is a purine-based inhibitor of Grp94. Specifically, it is a Grp94-selective resorcinol-based inhibitor isolated through probing of the exclusive binding region of S2 subpocket in Grp94.

Chemical Structure

PU-H54
PU-H54
CAS#1454619-13-6

Theoretical Analysis

MedKoo Cat#: 571301

Name: PU-H54

CAS#: 1454619-13-6

Chemical Formula: C18H19N5S

Exact Mass: 337.1361

Molecular Weight: 337.45

Elemental Analysis: C, 64.07; H, 5.68; N, 20.75; S, 9.50

Price and Availability

Size Price Availability Quantity
25mg USD 450.00 2 Weeks
50mg USD 750.00 2 Weeks
100mg USD 1,250.00 2 Weeks
1g USD 4,250.00 2 Weeks
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Related CAS #
No Data
Synonym
PU-H54; PU H54; PUH54
IUPAC/Chemical Name
8-((2,4-dimethylphenyl)thio)-3-(pent-4-yn-1-yl)-3H-purin-6-amine
InChi Key
IIQUFGUOGYICIJ-UHFFFAOYSA-N
InChi Code
InChI=1S/C18H19N5S/c1-4-5-6-9-23-11-20-16(19)15-17(23)22-18(21-15)24-14-8-7-12(2)10-13(14)3/h1,7-8,10-11H,5-6,9,19H2,2-3H3
SMILES Code
CC1=CC(C)=C(SC2=NC3=C(N)N=CN(CCCC#C)C3=N2)C=C1
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
Hsp90 proteins are responsible for the maturation and activation of more than 300 polypeptides into proteins; they also remature denatured proteins. These products are often involved in signaling pathways implicated in cancer transformation, and thus Hsp90 inhibition has emerged as a combinatorial attack against cancer via a single molecular target. More specifically, in the ER, the Hsp90 form present is Grp94. It matures and transports proteins for signaling and cellular adhesion, which eventually play a role in integrin maturation and cell polarity. This target could play an important role in hepatocellular carcinoma, multiple myeloma, rheumatoid arthritis, and glaucoma. Grp94 is essential during embryonic development and thus represents a nontoxic target that can be inhibited to treat these diseases.

Preparing Stock Solutions

The following data is based on the product molecular weight 337.45 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Khandelwal A, Crowley VM, Blagg BSJ. Resorcinol-Based Grp94-Selective Inhibitors. ACS Medicinal Chemistry Letters. 2017 September 1. doi: 10.1021/acsmedchemlett.7b00193