ChemicalBook--->CAS DataBase List--->873436-91-0

873436-91-0

873436-91-0 Structure

873436-91-0 Structure
IdentificationBack Directory
[Name]

6-Amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-N-(1-methylethyl)-9H-purine-9-propanamine
[CAS]

873436-91-0
[Synonyms]

CS-105
PU-H 71
NSC 750424
PU-H71, >=98%
PU-H71 Trifluoroacetic Acid
8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[3-(propan-2-ylamino)propyl]purin-6-amine
9-(3-(Dimethylamino)propyl)-8-((6-iodobenzo[d][1,3]dioxol-5-yl)thio)-9H-purin-6-amine
8-((6-iodobenzo[d][1,3]dioxol-5-yl)thio)-9-(3-(isopropylaMino)propyl)-9H-purin-6-aMine
6-Amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-N-(1-methylethyl)-9H-purine-9-propanamine
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 USP/EP/BP
6-Amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-N-(1-methylethyl)-9H-purine-9-propanamine PU-H71 Trifluoroacetic Acid
[Molecular Formula]

C18H21IN6O2S
[MDL Number]

MFCD28952784
[MOL File]

873436-91-0.mol
[Molecular Weight]

512.37
Chemical PropertiesBack Directory
[Melting point ]

>194oC (dec.)
[Boiling point ]

650.6±65.0 °C(Predicted)
[density ]

1.84
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

10.16±0.29(Predicted)
[color ]

Off-White to Pale Beige
[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]

N1C2C(=NC=NC=2N)N(CCCNC(C)C)C=1SC1=C(I)C=C2OCOC2=C1
Hazard InformationBack Directory
[Uses]

Trifluoroacetic Acid of 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.
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