Zelavespib
Grundinformationen
- CAS
873436-91-0- Standard-SMILES
CC(C)NCCCn1c(Sc2cc3c(cc2I)OCO3)nc2c(N)ncnc21- InChIKey
SUPVGFZUWFMATN-UHFFFAOYSA-N- Summenformel
- C18H21IN6O2S
- Durchschnittliche Molmasse
- 512,4 g/mol
- Monoisotopische Masse
- 512,04914291
Überblick
Zelavespib (PU-H71) has been used in trials studying the treatment of LYMPHOMA, Solid Tumors, Metastatic Solid Tumor, and Myeloproliferative Neoplasms (MPN).
Namen und Bezeichner
- Bevorzugter Name
- Zelavespib
- IUPAC
- 8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[3-(propan-2-ylamino)propyl]purin-6-amine
- Englischer Name
- 6-Amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-N-(1-methylethyl)-9H-purine-9-propanamine
- Summenformel
- C18H21IN6O2S
- Molmasse
- 512.37
Namen und Synonyme
PU-H71873436-91-0ZelavespibPU-H 71PUH-71PU-H-7106IVK87M049H-Purine-9-propanamine, 6-amino-8-((6-iodo-1,3-benzodioxol-5-yl)thio)-N-(1-methylethyl)-DTXSID202362888-[(6-iodo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9-{3-[(propan-2-yl)amino]propyl}-9H-purin-6-aminePUH718-((6-iodo-2H-1,3-benzodioxol-5-yl)sulfanyl)-9-(3-((propan-2-yl)amino)propyl)-9H-purin-6-amine
Weitere Namen anzeigen
CS-105NSC 750424PU-H71 XHBrPU-H71, >=98%Zelavespib (PU-H71)PU-H71, 10 mM in DMSOZelavespib (PU-H71) ，S8039PU-H71 Trifluoroacetic Acid9-(3-(Dimethylamino)propyl)-8-((6-iodobenzo[d][1,3]dioxol-5-yl)thio)-9H-purin-6-amine
RefChem:177153Hsp90 Inhibitor PU-H71DTXCID201587796-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-n-(1-methylethyl)-9h-purine-9-propanamine8-((6-Iodobenzo[d][1,3]dioxol-5-yl)thio)-9-(3-(isopropylamino)propyl)-9H-purin-6-amineUNII-06IVK87M04CAS#873436-91-08-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[3-(propan-2-ylamino)propyl]purin-6-amine
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,2
- Polarare Oberfläche (TPSA)
- 125 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 28
- Formalladung
- 0
- Komplexität
- 520
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
Physikochemische Eigenschaften
- Schmelzpunkt
- 194 oC · >194oC (dec.)
- Siedepunkt
- 650.6 · 650.6±65.0 °C(Predicted)
- Dichte
- 1.84 · 1.84
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- pka
- 10.16 · 10.16±0.29(Predicted)
- Aggregatzustand
- Solid
- Farbe
- 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
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationSubstances that inhibit or prevent the proliferation of NEOPLASMS.
Anwendungen
VerwendenTrifluoroacetic 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.
Anbieter92 Anbieter
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
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Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Aladdin Scientific[email protected]
上海微佳禾生物科技有限公司
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