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Details

Stereochemistry ACHIRAL
Molecular Formula C15H15N7O
Molecular Weight 309.3259
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SAPANISERTIB

SMILES

CC(C)N1N=C(C2=C1N=CN=C2N)C3=CC=C4OC(N)=NC4=C3

InChI

InChIKey=GYLDXIAOMVERTK-UHFFFAOYSA-N
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)

HIDE SMILES / InChI

Molecular Formula C15H15N7O
Molecular Weight 309.3259
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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.

Approval Year

Targets

Targets

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

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

Approved Use

Unknown
Primary
Unknown

Approved Use

Unknown
Primary
Unknown

Approved Use

Unknown
OverviewDrug as perpetrator​Drug as victimTox targets

Tox targets

TargetModalityActivityMetaboliteClinical evidence
Sourcing

Sourcing

Vendor/AggregatorIDURL
PubMed

PubMed

TitleDatePubMed
mTOR Mediated Anti-Cancer Drug Discovery.
2009 Summer
ATP-competitive inhibitors of mTOR: an update.
2011
The translational landscape of mTOR signalling steers cancer initiation and metastasis.
2012 Feb 22
Dual mTOR inhibitor MLN0128 suppresses Merkel cell carcinoma (MCC) xenograft tumor growth.
2016 Feb 9
Patents

Sample Use Guides

Patients were receiving 15, 20 or 30 mg of sapanisertib orally on days 1, 8, 15 and 22.
Route of Administration: Oral
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
Created
by admin
on Thu Jul 06 07:49:14 UTC 2023
Edited
by admin
on Thu Jul 06 07:49:14 UTC 2023
Record UNII
JGH0DF1U03
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SAPANISERTIB
INN   USAN   WHO-DD  
USAN   INN  
Official Name English
INK-128
Code English
TAK-228
Code English
INK128
Code English
Sapanisertib [WHO-DD]
Common Name English
sapanisertib [INN]
Common Name English
CB-228
Code English
MLN-0128
Code English
1H-PYRAZOLO(3,4-D)PYRIMIDIN-4-AMINE, 3-(2-AMINO-5-BENZOXAZOLYL)-1-(1-METHYLETHYL)-
Systematic Name English
MLN0128
Code English
SAPANISERTIB [USAN]
Common Name English
3-(2-Amino-1,3-benzoxazol-5-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C2201
Created by admin on Thu Jul 06 07:49:14 UTC 2023 , Edited by admin on Thu Jul 06 07:49:14 UTC 2023
NCI_THESAURUS C129825
Created by admin on Thu Jul 06 07:49:14 UTC 2023 , Edited by admin on Thu Jul 06 07:49:14 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID40102253
Created by admin on Thu Jul 06 07:49:14 UTC 2023 , Edited by admin on Thu Jul 06 07:49:14 UTC 2023
PRIMARY
CAS
1224844-38-5
Created by admin on Thu Jul 06 07:49:14 UTC 2023 , Edited by admin on Thu Jul 06 07:49:14 UTC 2023
PRIMARY
NCI_THESAURUS
C90548
Created by admin on Thu Jul 06 07:49:14 UTC 2023 , Edited by admin on Thu Jul 06 07:49:14 UTC 2023
PRIMARY
PUBCHEM
45375953
Created by admin on Thu Jul 06 07:49:14 UTC 2023 , Edited by admin on Thu Jul 06 07:49:14 UTC 2023
PRIMARY
DAILYMED
JGH0DF1U03
Created by admin on Thu Jul 06 07:49:14 UTC 2023 , Edited by admin on Thu Jul 06 07:49:14 UTC 2023
PRIMARY
WIKIPEDIA
Sapanisertib
Created by admin on Thu Jul 06 07:49:14 UTC 2023 , Edited by admin on Thu Jul 06 07:49:14 UTC 2023
PRIMARY
USAN
DE-78
Created by admin on Thu Jul 06 07:49:14 UTC 2023 , Edited by admin on Thu Jul 06 07:49:14 UTC 2023
PRIMARY
RXCUI
2395271
Created by admin on Thu Jul 06 07:49:14 UTC 2023 , Edited by admin on Thu Jul 06 07:49:14 UTC 2023
PRIMARY
ChEMBL
CHEMBL3545097
Created by admin on Thu Jul 06 07:49:14 UTC 2023 , Edited by admin on Thu Jul 06 07:49:14 UTC 2023
PRIMARY
INN
10034
Created by admin on Thu Jul 06 07:49:14 UTC 2023 , Edited by admin on Thu Jul 06 07:49:14 UTC 2023
PRIMARY
SMS_ID
100000165992
Created by admin on Thu Jul 06 07:49:14 UTC 2023 , Edited by admin on Thu Jul 06 07:49:14 UTC 2023
PRIMARY
ChEMBL
CHEMBL3545056
Created by admin on Thu Jul 06 07:49:14 UTC 2023 , Edited by admin on Thu Jul 06 07:49:14 UTC 2023
PRIMARY
EVMPD
SUB179941
Created by admin on Thu Jul 06 07:49:14 UTC 2023 , Edited by admin on Thu Jul 06 07:49:14 UTC 2023
PRIMARY
FDA UNII
JGH0DF1U03
Created by admin on Thu Jul 06 07:49:14 UTC 2023 , Edited by admin on Thu Jul 06 07:49:14 UTC 2023
PRIMARY
DRUG BANK
DB11836
Created by admin on Thu Jul 06 07:49:14 UTC 2023 , Edited by admin on Thu Jul 06 07:49:14 UTC 2023
PRIMARY
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