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Details

Stereochemistry ACHIRAL
Molecular Formula C15H16N7O.2ClH
Molecular Weight 383.256
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SAPANISERTIB DIHYDROCHLORIDE

SMILES

Cl.Cl.CC(C)N1N=C(C2=C(N)N=CN=C12)C3=CC4=C(C=C3)[O]=C(N)N4

InChI

InChIKey=UPDVNSFXDULCIK-UHFFFAOYSA-N
InChI=1S/C15H16N7O.2ClH/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;;/h3-7,20H,17H2,1-2H3,(H2,16,18,19);2*1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C15H15N7O
Molecular Weight 309.3259
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Sapanisertib is an oral dual inhibitor of mTORC1/mTORC2, discovered by Intellikine for the treatment of cancer. The drug is being tested in phase II of clinical trials for different cancers among which are sarcoma, hepatocellular carcinoma, etc. The drug is currently developed by Takeda with breast cancer, renal cancer and endometrial cancer being the main target indications.

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
1.0 nM [IC50]
1.0 nM [IC50]

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown
Primary
Unknown
Primary
Unknown

Cmax

ValueDoseCo-administeredAnalytePopulation
36.4 ng/mL
4 mg single, oral
SAPANISERTIB plasma
Homo sapiens

AUC

ValueDoseCo-administeredAnalytePopulation
369.2 ng × h/mL
4 mg single, oral
SAPANISERTIB plasma
Homo sapiens

T1/2

ValueDoseCo-administeredAnalytePopulation
8.3 h
4 mg single, oral
SAPANISERTIB plasma
Homo sapiens

Funbound

ValueDoseCo-administeredAnalytePopulation
18%
SAPANISERTIB plasma
Homo sapiens

Drug as perpetrator​

Drug as victim

Tox targets

PubMed

Sample Use Guides

In Vivo Use Guide
Patients were receiving 15, 20 or 30 mg of sapanisertib orally on days 1, 8, 15 and 22.
Route of Administration: Oral
In Vitro Use Guide
AML cell lines (OCI-AML3, U937, and MV4-11) were treated with different concentrations (6 nM, 18,5 nM, 56 nM, 166 nM, 500 nM) of sapanisertib for 72 hours and growth inhibition of cell lines was measured by Vi-Cell XR cell viability analyzer. AML samples were treated with 25 nM of the drug to study its anti-leukemic efficacy.
Substance Class Chemical
Record UNII
KC55B27U5P
Record Status Validated (UNII)
Record Version