sapanisertib (CHEBI:91450)

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CHEBI:91450 - sapanisertib

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ChEBI ID	CHEBI:91450
ChEBI Name	sapanisertib
Stars
Definition	A 1,3-benzoxazole substituted by amino and 4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl groups at positions 2 and 5, respectively. It is a ATP-competitive inhibitor of mTORC1 and mTORC2 that exhibits antineoplastic activity.
Last Modified	24 June 2024
Downloads	Molfile

Formula	C15H15N7O
Net Charge	0
Average Mass	309.333
Monoisotopic Mass	309.13381
SMILES	CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21
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)
InChIKey	GYLDXIAOMVERTK-UHFFFAOYSA-N

Wikipedia

Roles Classification

Chemical Role:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:	EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor An inhibitor of phosphatidylinositol 3-kinase, EC 2.7.1.137, a family of related enzymes capable of phosphorylating the 3 position hydroxy group of the inositol ring of a phosphatidylinositol. apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. mTOR inhibitor A protein kinase inhibitor of the mammalian target of rapamycin (mTOR), a protein that regulates cell growth, cell proliferation, cell motility, cell survival, protein synthesis and transcription. mTOR inhibitors are used to prevent transplant rejection and in treatment of cancer.
Application:	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology

Outgoing Relation(s)
	sapanisertib (CHEBI:91450) has role antineoplastic agent (CHEBI:35610)
	sapanisertib (CHEBI:91450) has role apoptosis inducer (CHEBI:68495)
	sapanisertib (CHEBI:91450) has role EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor (CHEBI:50914)
	sapanisertib (CHEBI:91450) has role mTOR inhibitor (CHEBI:68481)
	sapanisertib (CHEBI:91450) is a 1,3-benzoxazoles (CHEBI:51548)
	sapanisertib (CHEBI:91450) is a aromatic amine (CHEBI:33860)
	sapanisertib (CHEBI:91450) is a primary amino compound (CHEBI:50994)
	sapanisertib (CHEBI:91450) is a pyrazolopyrimidine (CHEBI:38669)

IUPAC Name
3-(2-amino-1,3-benzoxazol-5-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

INNs	Source
sapanisertib	WHO MedNet
sapanisertibum	WHO MedNet
sapanisertib	WHO MedNet
sapanisertib	WHO MedNet

Synonyms	Source
5-(4-amino-1-propan-2-yl-3-pyrazolo[3,4-d]pyrimidinyl)-1,3-benzoxazol-2-amine	ChEBI
TAK-228	DrugBank
INK128	DrugBank
MLN0128	DrugBank
INK-128	ChEBI
TAK 228	ChEBI

Manual Xrefs	Databases
LSM-1206	LINCS
DB11836	DrugBank
HMDB0244472	HMDB
D11183	KEGG DRUG
FE5	PDBeChem
Sapanisertib	Wikipedia

Registry Numbers	Sources
CAS:1224844-38-5	KEGG DRUG

Citations