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:	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. 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.
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
sapanisertib	WHO MedNet
sapanisertib	WHO MedNet
sapanisertibum	WHO MedNet

Synonyms	Source
3-(2-amino-5-benzoxazolyl)-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine	ChEBI
5-(4-amino-1-propan-2-yl-3-pyrazolo[3,4-d]pyrimidinyl)-1,3-benzoxazol-2-amine	ChEBI
CB-228	ChEBI
FTH-003	ChEBI
INK 128	ChEBI
INK-128	ChEBI

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

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

Citations