Uprosertib HydrochlorideProduct ingredient for Uprosertib
- Name
- Uprosertib Hydrochloride
- Drug Entry
- Uprosertib
Uprosertib has been used in trials studying the treatment of Cancer, Melanoma, Solid Tumours, Cervical Cancer, and HER2/Neu Negative, among others.
- Accession Number
- DBSALT002113
- Structure
Structure for Uprosertib Hydrochloride (DBSALT002113)
- Synonyms
- Not Available
- UNII
- 50IE5H22B2
- CAS Number
- 1047635-80-2
- Weight
- Average: 465.71
Monoisotopic: 464.0385152 - Chemical Formula
- C18H17Cl3F2N4O2
- InChI Key
- LAPFKCIDRPWAFU-PPHPATTJSA-N
- InChI
- InChI=1S/C18H16Cl2F2N4O2.ClH/c1-26-16(12(19)8-24-26)11-6-15(28-17(11)20)18(27)25-10(7-23)4-9-2-3-13(21)14(22)5-9;/h2-3,5-6,8,10H,4,7,23H2,1H3,(H,25,27);1H/t10-;/m0./s1
- IUPAC Name
- N-[(2S)-1-amino-3-(3,4-difluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)furan-2-carboxamide hydrochloride
- SMILES
- Cl.CN1N=CC(Cl)=C1C1=C(Cl)OC(=C1)C(=O)N[C@H](CN)CC1=CC=C(F)C(F)=C1
- External Links
- ChemSpider
- 32697666
- Predicted Properties
Property Value Source Water Solubility 0.0351 mg/mL ALOGPS logP 3.26 ALOGPS logP 2.59 Chemaxon logS -4.1 ALOGPS pKa (Strongest Acidic) 14.04 Chemaxon pKa (Strongest Basic) 9.02 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 86.08 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 113.37 m3·mol-1 Chemaxon Polarizability 39.38 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon