Sapanisertib
5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
Molecular Identity
Sapanisertib
5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
PubChem CID: 45375953
Sapanisertib is 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. It has a role as an antineoplastic agent, an EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor, a mTOR inhibitor and an apoptosis inducer. It is an aromatic amine, a pyrazolopyrimidine, a primary amino compound and a member of 1,3-benzoxazoles.
2D Structure
Properties
C15H15N7O
Molecular Formula
309.33
Molecular Weight
g/mol
309.1338
Exact Mass
Da
1.7
XLogP
Drug-like (Lipinski: < 5)
122
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
436
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Sapanisertib1224844-38-5INK-128MLN0128INK128INK 128MLN-0128TAK-228JGH0DF1U03CB-2283-(2-Amino-5-benzoxazolyl)-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amineDTXSID4010225382-Benzoxazolamine, 5-(4-amino-1-(1-methylethyl)-1H-pyrazolo(3,4-d)pyrimidin-3-yl)-3-(2-Amino-1,3-benzoxazol-5-yl)-1-isopropyl-1H-pyrazolo(3,4-d)pyrimidin-4-amine
Data from PubChem (NCBI)
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Trials and conditions connected to Sapanisertib
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