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Torkinib

Torkinib structure

CAS No:
1092351-67-1
Formula:
C16H16N6O
Chemical Name:
Torkinib
Synonyms:
1H-Indol-5-ol,2-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-;2-[4-Amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;PP 242;2-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol;Torkinib
Categories:
Biochemical Engineering > Inhibitors

Description

ChEBI: A member of the class of pyrazolopyrimidines that is 1H-pyrazolo[3,4-d]pyrimidine substituted by isopropyl, 5-hydroxyindol-2-yl and amino groups at positions 1, 3 and 4 respectively. It is a potent inhibitor of mTOR and exhi its anti-cancer properties.

Torkinib is a member of the class of pyrazolopyrimidines that is 1H-pyrazolo[3,4-d]pyrimidine substituted by isopropyl, 5-hydroxyindol-2-yl and amino groups at positions 1, 3 and 4 respectively. It is a potent inhibitor of mTOR and exhibits anti-cancer properties. It has a role as a mTOR inhibitor and an antineoplastic agent. It is a pyrazolopyrimidine, a member of phenols, a member of hydroxyindoles, a biaryl, an aromatic amine and a primary amino compound.

Torkinib Basic Attributes

Molecular Weight：

308.35

Exact Mass：

308.34

EC Number：

-0

UNII：

H5669VNZ7V

DSSTox ID：

DTXSID5048685

HScode：

29339900

Characteristics

PSA：

105.64000

XLogP3：

3.42450

Density：

1.55

Boiling Point：

642.0±50.0 °C(Predicted)

Flash Point：

342.097℃

Refractive Index：

1.800

Drug Information

MeSH Entry Terms：

PP242

Torkinib Use and Manufacturing

This ATP-competitive mTORC1/mTORC2 inhibitor (FW = 308.34 g/mol; CAS 1092351-67-1; Solubility: 25 mM in DMSO), also named 2-[4-amino- 1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol, has a IC50 = 8 nM for both isoforms of mammalian target of rapamycin (mTOR), also known as FK506-binding protein 12-rapamycin-associated protein 1, or FRAP1, a serine/threonine protein kinase that regulates cell growth, cell proliferation, cell motility, cell survival, protein synthesis, autophagy

Computed Properties

Molecular Weight:308.34
XLogP3:2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:308.13855916
Monoisotopic Mass:308.13855916
Topological Polar Surface Area:106
Heavy Atom Count:23
Complexity:435
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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