SAPANISERTIB DIMESYLATE

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H15N7O.2CH4O3S
Molecular Weight	501.537
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.CS(O)(=O)=O.CC(C)N1N=C(C2=C(N)N=CN=C12)C3=CC4=C(OC(N)=N4)C=C3

InChI

InChIKey=RIAVGZKNRXZPEG-UHFFFAOYSA-N

InChI=1S/C15H15N7O.2CH4O3S/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;2*1-5(2,3)4/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19);2*1H3,(H,2,3,4)

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

Molecular Formula	CH4O3S
Molecular Weight	96.106
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/23090679 | https://www.ncbi.nlm.nih.gov/pubmed/27391151 | http://www.takeda.com/research/files/pipeline_20161028_en.pdf

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 Target	Pharmacology	Condition	Potency
Mammalian target of Rapamycin (mTORC1) 23 Target ID: CHEMBL2221341 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23090679	Inhibitor 8504		1.0 nM [IC50]
mTORC2 8 Target ID: mTORC2 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23090679	Inhibitor 8504		1.0 nM [IC50]

Conditions

Condition	Modality	Highest Phase	Product
Breast cancer 432 Sources: http://www.takeda.com/research/files/pipeline_20161028_en.pdf	Primary	Phase II 1147	Unknown Approved Use Unknown
Renal cell carcinoma 7 Sources: http://www.takeda.com/research/files/pipeline_20161028_en.pdf	Primary	Phase II 1147	Unknown Approved Use Unknown
Endometrial cancer 44 Sources: http://www.takeda.com/research/files/pipeline_20161028_en.pdf	Primary	Phase II 1147	Unknown Approved Use Unknown

C_max

Value	Dose	Co-administered	Analyte	Population
36.4 ng/mL EXPERIMENT https://www.ncbi.nlm.nih.gov/pubmed/29464110	4 mg single, oral dose: 4 mg route of administration: Oral experiment type: SINGLE co-administered:		SAPANISERTIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED

AUC

Value	Dose	Co-administered	Analyte	Population
369.2 ng × h/mL EXPERIMENT https://www.ncbi.nlm.nih.gov/pubmed/29464110	4 mg single, oral dose: 4 mg route of administration: Oral experiment type: SINGLE co-administered:		SAPANISERTIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED

T_1/2

Value	Dose	Co-administered	Analyte	Population
8.3 h EXPERIMENT https://www.ncbi.nlm.nih.gov/pubmed/29464110	4 mg single, oral dose: 4 mg route of administration: Oral experiment type: SINGLE co-administered:		SAPANISERTIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED

F_unbound

Value	Dose	Co-administered	Analyte	Population
18% EXPERIMENT https://www.ncbi.nlm.nih.gov/pubmed/30222978			SAPANISERTIB plasma	Homo sapiens

Overview

CYP3A4	CYP2C9	CYP2D6	hERG
substrate 1946 inhibitor 2252	inhibitor 2438	inhibitor 2507	inhibitor 2217

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
OATP1B3 961 OAT2 153 P-gp 1741 BCRP 910 OATP1B1 1079 OCT1 620	CYP1A2 1197 UGT1A4 399 CYP2C19 1119 UGT1A3 470 UGT2B10 131

Drug as perpetrator

Target	Modality	Activity
CYP2C9 2497	inhibitor 4027 Sources: https://pubchem.ncbi.nlm.nih.gov/bioassay/1645842#sid=363677499	inconclusive [IC50 16.933 uM]
OATP1B1 1095	inhibitor 4027 Sources: https://pubmed.ncbi.nlm.nih.gov/31047942/	no [Inhibition 10 uM]
OATP1B3 970	inhibitor 4027 Sources: https://pubmed.ncbi.nlm.nih.gov/31047942/	no [Inhibition 10 uM]
CYP2D6 2546	inhibitor 4027 Sources: https://pubchem.ncbi.nlm.nih.gov/bioassay/1645840#sid=363677499	no
CYP3A4 2633	inhibitor 4027 Sources: https://pubchem.ncbi.nlm.nih.gov/bioassay/1645840#sid=363677499	no
BCRP 985	inhibitor 4027 Sources: https://pubmed.ncbi.nlm.nih.gov/32488989/	weak [IC50 51.9 uM]
OCT1 656	inhibitor 4027 Sources: https://pubmed.ncbi.nlm.nih.gov/32488989/	weak
P-gp 1932	inhibitor 4027 Sources: https://pubchem.ncbi.nlm.nih.gov/bioassay/1346987#sid=174006517	yes [IC50 0.0013 uM]
OAT2 155	inhibitor 4027 Sources: https://pubmed.ncbi.nlm.nih.gov/32488989/	yes [IC50 1.9 uM]

Drug as victim

Target	Modality	Activity
CYP1A2 1197	substrate 4014 Sources: https://pubmed.ncbi.nlm.nih.gov/32488989/	yes
CYP2C19 1119	substrate 4014 Sources: https://pubmed.ncbi.nlm.nih.gov/32488989/	yes
CYP3A4 1946	substrate 4014 Sources: https://pubmed.ncbi.nlm.nih.gov/32488989/	yes
UGT1A3 470	substrate 4014 Sources: https://pubmed.ncbi.nlm.nih.gov/32488989/	yes
UGT1A4 399	substrate 4014 Sources: https://pubmed.ncbi.nlm.nih.gov/32488989/	yes
UGT2B10 131	substrate 4014 Sources: https://pubmed.ncbi.nlm.nih.gov/32488989/	yes

Tox targets

Target	Modality	Activity	Metabolite	Clinical evidence
hERG 2263	inhibitor 2237 Sources: https://pubmed.ncbi.nlm.nih.gov/32488989/

Sourcing

Vendor/Aggregator	ID	URL
001 Chemical	DY106919	https://www.001chemical.com/chem/search?q=DY106919
1PlusChem LLC	1P0017RA	https://www.1pchem.com/search?query=1P0017RA
Aceschem	ACS019888	https://www.aceschem.com/catalog/search.do?q=ACS019888
AChemBlock	L21907	http://www.achemblock.com/catalogsearch/result/?q=L21907
AK Scientific	2477AH	https://aksci.com/item_detail.php?cat=2477AH
AK Scientific	SYN1157	https://aksci.com/item_detail.php?cat=SYN1157
Ambeed	A121801	http://www.ambeed.com/search/Search.html?keyword=A121801
AOBIOUS INC	AOB87177	http://aobious.com/aobious/search?search_query=AOB87177
ApexBio Technology	A8551	https://www.apexbt.com/catalogsearch/result/?q=A8551
AstaTech	42572	http://astatechinc.com/CPSResult.php?CRNO=42572
Axon MedChem	2142	https://www.axonmedchem.com/product/2142
BLD Pharm	BD305515	http://www.bldpharm.com/search/Search.html?keyword=BD305515
BOC Sciences	1224844-38-5	http://www.bocsci.com/description.asp?cas=1224844-38-5
Capot Chemical	34009	https://www.capotchem.com/search.do?q=34009
Cayman Chemical	11811	http://www.caymanchem.com/app/template/Product.vm/catalog/11811
Chem Scene	CS-0557	http://www.chemscene.com/goproductList/searchProductList?productObj=CS-0557
ChemShuttle	109776	https://www.chemshuttle.com/catalogsearch/result/?q=109776
eMolecules	44811663	https://orderbb.emolecules.com/search/#?query=44811663
eNovation Chemicals	D572837	https://www.enovationchem.com/Products.asp?SEARCHTEXT=D572837&searchbtn.x=0&searchbtn.y=0
Excenen	EX-A951	http://www.excenen.com/searchresultlist.php?id=EX-A951
Hairui	HR33039	http://www.hairuichem.com/en/product/search.do?q=HR33039
KeyOrganics	AS-16294	http://www.keyorganicsinc.com/bionet/catalogsearch/result?q=AS-16294
Lab Network	LN01326735	https://labnetwork.com/frontend-app/p/#!/moleculedetails/LN01326735
Matrix Scientific	132326	http://www.matrixscientific.com/132326.html
mcule	MCULE-4673248508	https://mcule.com/MCULE-4673248508/
MedChem Express	HY-13328	https://www.medchemexpress.com/search.html?q=HY-13328&ft=&fa=&fp=
Molcore	MC106919	http://www.molcore.com/CatMC106919.html
Molnova	M10859	https://www.molnova.com/en/serch-list.html?keywords=M10859
MolPort	MolPort-023-219-148	https://www.molport.com/shop/molecule-link/MolPort-023-219-148
MuseChem	I000862	https://www.musechem.com/product/I000862.html
Ryan Scientific	101-94113	https://ryansci.com/products?q=101-94113&list_q=&search_type=exact
Ryan Scientific	ENMD-2076	https://ryansci.com/products?q=ENMD-2076&list_q=&search_type=exact
TargetMol	T1838	https://www.targetmol.com/search?keyword=T1838
Toronto Research Chemicals	A602050	https://www.trc-canada.com/product-detail/?CatNum=A602050

PubMed

Title	Date	PubMed
Dual mTOR inhibitor MLN0128 suppresses Merkel cell carcinoma (MCC) xenograft tumor growth.	2016-02-09	26536665
The translational landscape of mTOR signalling steers cancer initiation and metastasis.	2012-02-22	22367541
ATP-competitive inhibitors of mTOR: an update.	2011	21651476
mTOR Mediated Anti-Cancer Drug Discovery.	2009	20622997

Patents

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 Created by `admin` on `Mon Mar 31 21:36:05 GMT 2025` Edited by `admin` on `Mon Mar 31 21:36:05 GMT 2025`
Record UNII	SB2601C5MF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SAPANISERTIB DIMESILATE

Preferred Name

English

SAPANISERTIB DIMESYLATE

Common Name

English

Sapanisertib dimesilate [WHO-DD]

Common Name

English

1H-PYRAZOLO(3,4-D)PYRIMIDIN-4-AMINE, 3-(2-AMINO-5-BENZOXAZOLYL)-1-(1-METHYLETHYL)-, METHANESULFONATE (1:2)

Systematic Name

English

Code System Code Type Description

FDA UNII

SB2601C5MF

Created by admin on Mon Mar 31 21:36:05 GMT 2025 , Edited by admin on Mon Mar 31 21:36:05 GMT 2025

PRIMARY

PUBCHEM

126480210

Created by admin on Mon Mar 31 21:36:05 GMT 2025 , Edited by admin on Mon Mar 31 21:36:05 GMT 2025

PRIMARY

CAS

1422006-39-0

Created by admin on Mon Mar 31 21:36:05 GMT 2025 , Edited by admin on Mon Mar 31 21:36:05 GMT 2025

PRIMARY

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SAPANISERTIB

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					JGH0DF1U03

SAPANISERTIB

ACTIVE MOIETY

Details

SMILES

InChI

DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/23090679 | https://www.ncbi.nlm.nih.gov/pubmed/27391151 | http://www.takeda.com/research/files/pipeline_20161028_en.pdf

Originator

Approval Year

Targets

Conditions

Approved Use

Approved Use

Approved Use

Cmax

AUC

T1/2

Funbound

Overview

OverviewOther

Drug as perpetrator​

Drug as victim

Tox targets

Sourcing

PubMed

Patents

Sample Use Guides

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/23090679 | https://www.ncbi.nlm.nih.gov/pubmed/27391151 | http://www.takeda.com/research/files/pipeline_20161028_en.pdf

C_max

T_1/2

F_unbound

Drug as perpetrator