Sapanisertib

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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Name
Sapanisertib
Accession Number
DB11836
Type
Small Molecule
Groups
Investigational
Description

Sapanisertib has been used in trials studying the treatment of HCC, Solid Tumor, Gliosarcoma, Liver Cancer, and Glioblastoma, among others.

Structure
Thumb
Synonyms
Not Available
External IDs
MLN0128
Product Ingredients
IngredientUNIICASInChI Key
Sapanisertib Diphosphate6AXE5IZ00D1422006-45-8QSGFPHZWXWVYBU-UHFFFAOYSA-N
Sapanisertib Hydrochloride9T2Z08R92D1422006-46-9BIIIFXZHOONGOL-UHFFFAOYSA-N
Categories
UNII
JGH0DF1U03
CAS number
1224844-38-5
Weight
Average: 309.333
Monoisotopic: 309.133808131
Chemical Formula
C15H15N7O
InChI Key
GYLDXIAOMVERTK-UHFFFAOYSA-N
InChI
InChI=1S/C15H15N7O/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19)
IUPAC Name
5-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzoxazol-2-amine
SMILES
CC(C)N1N=C(C2=C(N)N=CN=C12)C1=CC=C2OC(N)=NC2=C1

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
45375953
PubChem Substance
347828181
ChemSpider
28189069
ChEBI
91450
ChEMBL
CHEMBL3545097
Wikipedia
Sapanisertib

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Active Not RecruitingTreatmentAdult Glioblastoma / Endometrial Clear Cell Adenocarcinoma / Endometrial Serous Adenocarcinoma / Ovarian Clear Cell Cystadenocarcinoma / Ovarian Endometrioid Adenocarcinoma / Ovarian Mucinous Cystadenocarcinoma / Ovarian Serous Cystadenocarcinoma / Recurrent Fallopian Tube Carcinoma / Recurrent Ovarian Carcinoma / Recurrent Primary Peritoneal Carcinoma / Recurrent Uterine Corpus Carcinoma / Solid Neoplasms / Stage IIIA Fallopian Tube Cancer / Stage IIIA Fallopian Tube Cancer AJCC v7 / Stage IIIA Ovarian Cancer / Stage IIIA Ovarian Cancer AJCC v6 and v7 / Stage IIIA Primary Peritoneal Cancer / Stage IIIA Primary Peritoneal Cancer AJCC v7 / Stage IIIB Fallopian Tube Cancer / Stage IIIB Fallopian Tube Cancer AJCC v7 / Stage IIIB Ovarian Cancer / Stage IIIB Ovarian Cancer AJCC v6 and v7 / Stage IIIB Primary Peritoneal Cancer / Stage IIIB Primary Peritoneal Cancer AJCC v7 / Stage IIIC Fallopian Tube Cancer / Stage IIIC Fallopian Tube Cancer AJCC v7 / Stage IIIC Ovarian Cancer / Stage IIIC Ovarian Cancer AJCC v6 and v7 / Stage IIIC Primary Peritoneal Cancer / Stage IIIC Primary Peritoneal Cancer AJCC v7 / Stage IV Fallopian Tube Cancer / Stage IV Fallopian Tube Cancer AJCC v6 and v7 / Stage IV Ovarian Cancer / Stage IV Ovarian Cancer AJCC v6 and v7 / Stage IV Primary Peritoneal Cancer / Stage IV Primary Peritoneal Cancer AJCC v71
1Active Not RecruitingTreatmentGlioblastomas / Gliosarcoma1
1CompletedTreatmentAdvanced Nonhematologic Malignancies2
1CompletedTreatmentAdvanced Solid Malignancies1
1CompletedTreatmentAdvanced Solid Malignancies / Malignancies, Hematologic1
1CompletedTreatmentAdvanced Solid Tumors1
1CompletedTreatmentRefractory Multiple Myeloma / Relapsed Multiple Myeloma / Waldenström's Macroglobulinemia (WM)1
1RecruitingTreatmentAdvanced Malignant Solid Neoplasm / Fibrolamellar Carcinoma / Metastatic Malignant Solid Neoplasm / Metastatic Solid Neoplasm / Neoplasms, Advanced Solid / Ovarian Carcinoma / Progressive Neuroendocrine Tumors of pancreatic origin / Recurrent Malignant Solid Neoplasm / Recurrent Solid Neoplasm / Refractory Malignant Solid Neoplasm / Solid Neoplasms / Unresectable Solid Neoplasm1
1RecruitingTreatmentAdvanced Solid Tumors1
1RecruitingTreatmentCancer, Advanced / Tumors, Solid1
1RecruitingTreatmentEGFR Activating Mutation / EGFR Exon 19 Deletion Mutation / EGFR NP_005219.2:p.G719X / EGFR NP_005219.2:p.L858R / EGFR NP_005219.2:p.L861Q / EGFR T790M Mutation Negative / Recurrent Lung Non-Small Cell Carcinoma / Recurrent Non-Small Cell Lung Carcinoma / Stage III Lung Non-Small Cell Cancer AJCC v7 / Stage III Non-Small Cell Lung Cancer AJCC v7 / Stage IIIA Lung Non-Small Cell Cancer AJCC v7 / Stage IIIA Non-Small Cell Lung Cancer / Stage IIIA Non-Small Cell Lung Cancer AJCC v7 / Stage IIIB Lung Non-Small Cell Cancer AJCC v7 / Stage IIIb Non-small Cell Lung Cancer / Stage IIIB Non-Small Cell Lung Cancer AJCC v7 / Stage IV Lung Non-Small Cell Cancer AJCC v7 / Stage IV Non-Small Cell Lung Cancer / Stage IV Non-Small Cell Lung Cancer AJCC v71
1RecruitingTreatmentMalignant Neoplasm of Breast / Malignant Neoplasms of Bone and Articular Cartilage / Malignant Neoplasms of Digestive Organs / Malignant Neoplasms of Eye Brain and Other Parts of Central Nervous System / Malignant Neoplasms of Female Genital Organs / Malignant Neoplasms of Ill-defined Secondary and Unspecified Sites / Malignant Neoplasms of Independent (Primary) Multiple Sites / Malignant Neoplasms of Lip Oral Cavity and Pharynx / Malignant Neoplasms of Male Genital Organs / Malignant Neoplasms of Mesothelial and Soft Tissue / Malignant Neoplasms of Respiratory and Intrathoracic Organs / Malignant Neoplasms of Thyroid and Other Endocrine Glands / Malignant Neoplasms of Urinary Tract / Malignant Neoplasms Stated as Primary Lymphoid Haematopoietic / Recurrent Malignant Solid Neoplasm / Refractory Malignant Solid Neoplasm1
1RecruitingTreatmentMetastatic Breast Cancer (MBC) / Tumors, Solid1
1WithdrawnTreatmentAnaplastic Large Cell Lymphoma / CD30+ Peripheral T-cell Lymphoma / Classical Hodgkin Lymphoma / Malignant Neoplasms Stated as Primary Lymphoid Haematopoietic1
1WithdrawnTreatmentMalignant Neoplasms of Digestive Organs / Malignant Neoplasms of Female Genital Organs / Malignant Neoplasms of Lip Oral Cavity and Pharynx / Malignant Neoplasms of Male Genital Organs1
1, 2Active Not RecruitingTreatmentHCC / Hepatocellular,Carcinoma / Liver Cancer1
1, 2Active Not RecruitingTreatmentHigh Grade Sarcoma / Metastatic Leiomyosarcoma / Metastatic Malignant Peripheral Nerve Sheath Tumor / Metastatic Synovial Sarcoma / Metastatic Undifferentiated Pleomorphic Sarcoma / Metastatic Unresectable Sarcoma / Myxofibrosarcoma / Recurrent Leiomyosarcoma / Recurrent Malignant Peripheral Nerve Sheath Tumor / Recurrent Synovial Sarcoma / Recurrent Undifferentiated Pleomorphic Sarcoma / Stage III Uterine Corpus Leiomyosarcoma AJCC v8 / Stage IIIA Uterine Corpus Leiomyosarcoma AJCC v8 / Stage IIIB Uterine Corpus Leiomyosarcoma AJCC v8 / Stage IIIC Uterine Corpus Leiomyosarcoma AJCC v8 / Stage IV Uterine Corpus Leiomyosarcoma AJCC v8 / Stage IVA Uterine Corpus Leiomyosarcoma AJCC v8 / Stage IVB Uterine Corpus Leiomyosarcoma AJCC v8 / Unresectable Leiomyosarcoma / Uterine Corpus Leiomyosarcoma1
1, 2Active Not RecruitingTreatmentNeuroendocrine Carcinoma of the Skin1
1, 2TerminatedTreatmentMalignant Lymphomas1
2Active Not RecruitingTreatmentAcute Lymphoblastic Leukemia in Remission / B Acute Lymphoblastic Leukemia / B Acute Lymphoblastic Leukemia With t(9;22)(q34.1;q11.2); BCR-ABL1 / B Acute Lymphoblastic Leukemia, Philadelphia Chromosome Negative / Blasts 10 Percent or More of Bone Marrow Nucleated Cells / Recurrent Adult Acute Lymphoblastic Leukemia / Refractory Adult Acute Lymphoblastic Leukemia / T Acute Lymphoblastic Leukemia1
2Active Not RecruitingTreatmentClear-cell Metastatic Renal Cell Carcinoma1
2Active Not RecruitingTreatmentNeoplasms, Breast1
2Active Not RecruitingTreatmentNeoplasms, Endometrial1
2CompletedTreatmentEstrogen Receptor Positive Breast Cancer1
2CompletedTreatmentMetastatic Castration Resistant Prostate Cancer1
2RecruitingTreatmentAdvanced Malignant Neoplasm / Advanced Malignant Solid Neoplasm / Bladder Carcinoma / Carcinoma, Breast / Carcinoma, Colorectal / Carcinoma, Pancreatic / Cervical Carcinoma / Colon Carcinoma / Endometrial Carcinoma / Gastric Carcinoma / Gliomas / Head and Neck Carcinoma / Liver and Intrahepatic Bile Duct Carcinoma / Lung, Carcinoma / Malignant Lymphomas / Malignant Uterine Neoplasm / Melanoma / Oesophageal Carcinoma / Ovarian Carcinoma / Plasma Cell Myeloma / Prostate Cancer / Rectal Carcinoma / Recurrent Bladder Carcinoma / Recurrent Breast Carcinoma / Recurrent Cervical Carcinoma / Recurrent Colon Carcinoma / Recurrent Colorectal Carcinoma / Recurrent Esophageal Carcinoma / Recurrent Gastric Carcinoma / Recurrent Gliomas / Recurrent Head and Neck Carcinoma / Recurrent Liver Carcinoma / Recurrent Lung Carcinoma / Recurrent Lymphoma / Recurrent Malignant Solid Neoplasm / Recurrent Melanoma / Recurrent Ovarian Carcinoma / Recurrent Pancreatic Carcinoma / Recurrent Plasma Cell Myeloma / Recurrent Prostate Carcinoma / Recurrent Rectal Carcinoma / Recurrent Skin Carcinoma / Recurrent Solid Neoplasm / Recurrent Thyroid Gland Carcinoma / Recurrent Uterine Corpus Carcinoma / Refractory Lymphomas / Refractory Malignant Neoplasm / Refractory Malignant Solid Neoplasm / Refractory Plasma Cell Myeloma / Renal Carcinoma / Skin Carcinoma / Solid Neoplasms / Thyroid Gland Carcinoma / Uterine Corpus Cancer1
2RecruitingTreatmentAnaplastic Thyroid Cancers / Thyroid Cancers1
2RecruitingTreatmentCancer, Breast1
2RecruitingTreatmentKEAP1 Gene Mutation / KRAS Gene Mutation / NFE2L2 Gene Mutation / Recurrent Lung Squamous Cell Carcinoma / Recurrent Squamous Cell Lung Carcinoma / Stage IV Lung Squamous Cell Carcinoma AJCC v7 / Stage IV Squamous Cell Lung Carcinoma / Stage IV Squamous Cell Lung Carcinoma AJCC v71
2RecruitingTreatmentMetastatic Transitional Cell Carcinoma / Recurrent Bladder Carcinoma / Stage III Bladder Urothelial Carcinoma / Stage III Bladder Urothelial Carcinoma AJCC v6 and v7 / Stage IV Bladder Urothelial Carcinoma / Stage IV Bladder Urothelial Carcinoma AJCC v7 / TSC1 Gene Mutation / TSC2 Gene Mutation / Urothelial carcinoma ureter metastatic1
2RecruitingTreatmentSoft-Tissue Sarcoma1
2SuspendedTreatmentPancreatic Neuroendocrine Tumor G1 / Pancreatic Neuroendocrine Tumor G2 / Recurrent Pancreatic Neuroendocrine Carcinoma / Refractory Pancreatic Neuroendocrine Carcinoma1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.23 mg/mLALOGPS
logP1.97ALOGPS
logP1.64ChemAxon
logS-3.1ALOGPS
pKa (Strongest Acidic)13.86ChemAxon
pKa (Strongest Basic)4.07ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area121.67 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity97.69 m3·mol-1ChemAxon
Polarizability32.67 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as benzoxazoles. These are organic compounds containing a benzene fused to an oxazole ring Oxazole is five-membered aromatic ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzoxazoles
Sub Class
Not Available
Direct Parent
Benzoxazoles
Alternative Parents
Pyrazolo[3,4-d]pyrimidines / Aminopyrimidines and derivatives / Imidolactams / Benzenoids / Pyrazoles / Oxazoles / Heteroaromatic compounds / Oxacyclic compounds / Azacyclic compounds / Primary amines
show 3 more
Substituents
Benzoxazole / Pyrazolopyrimidine / Pyrazolo[3,4-d]pyrimidine / Aminopyrimidine / Pyrimidine / Benzenoid / Imidolactam / Azole / Oxazole / Pyrazole
show 12 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 14:52 / Updated on June 04, 2019 07:27