6-Amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-N-(1-methylethyl)-9H-purine-9-propanamine
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![6-Amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-N-(1-methylethyl)-9H-purine-9-propanamine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c8b709dba15746589f9eadc1f9b56f87.png "6-Amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-N-(1-methylethyl)-9H-purine-9-propanamine")
6-Amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-N-(1-methylethyl)-9H-purine-9-propanamine
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CAS No:
873436-91-0
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Formula:
C18H21IN6O2S
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Chemical Name:
6-Amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-N-(1-methylethyl)-9H-purine-9-propanamine
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Synonyms:
6-Amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-N-(1-methylethyl)-9H-purine-9-propanamine;PU-H 71;8-((6-iodobenzo[d][1,3]dioxol-5-yl)thio)-9-(3-(isopropylaMino)propyl)-9H-purin-6-aMine;PU-H71 Trifluoroacetic Acid;9H-Purine-9-propanamine, 6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-N-(1-methylethyl)-;NSC 750424;6-Amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-N-(1-methylethyl)-9H-purine-9-propanaminePU-H71 Trifluoroacetic Acid;PU-H71, >=98%
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CAS No:
Description
PU-H71 is a potent Hsp90 inhibitor, with an IC50 of 51 nM in MDA-MB-468 cells.
PU-H71 has been used in trials studying the treatment of LYMPHOMA, Solid Tumors, Metastatic Solid Tumor, and Myeloproliferative Neoplasms (MPN).|Zelavespib is a purine-based heat shock protein 90 (Hsp90) inhibitor with potential antineoplastic activity. Zelavespib specifically inhibits active Hsp90, thereby inhibiting its chaperone function and promoting the proteasomal degradation of oncogenic signaling proteins involved in tumor cell proliferation and survival. This may result in the inhibition of cellular proliferation in susceptible tumor cell populations. Hsp90, a molecular chaperone protein, is upregulated in a variety of tumor cell types.
6-Amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-N-(1-methylethyl)-9H-purine-9-propanamine Basic Attributes
512.36781
512.049133
06IVK87M04
752199
DTXSID20236288
C101227
Drug Information
Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)
9H-purine-9-propanamine, 6-amino-8-((6-iodo-1,3-benzodioxol-5-yl)thio)-N-(1-methylethyl)-
6-Amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-N-(1-methylethyl)-9H-purine-9-propanamine Use and Manufacturing
PU-H71 is a potent Hsp90 inhibitor (IC50 = 50 nM). Hsp90 plays a critical role in modulating the activity of many cell signaling proteins and are an attractive target for anti-cancer therapeutics. Studies indicate that Hsp90 inhibitors may serve as potential anti -Parkinson~"s disease.
Computed Properties
Molecular Weight:512.4
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:512.04914
Monoisotopic Mass:512.04914
Topological Polar Surface Area:125
Heavy Atom Count:28
Complexity:521
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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6-Amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-N-(1-methylethyl)-9H-purine-9-propanamine
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