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PF-04981517

PF-04981517 structure

CAS No:
1390637-82-7
Formula:
C26H32N8
Chemical Name:
PF-04981517
Synonyms:
CYP3cide;PF-04981517;PF-4981517;1H-Pyrazolo[3,4-d]pyrimidine, 1-methyl-3-[1-methyl-5-(4-methylphenyl)-1H-pyrazol-4-yl]-4-[(3S)-3-(1-piperidinyl)-1-pyrrolidinyl]-;1-Methyl-3-[1-methyl-5-(4-methylphenyl)-1H-pyrazol-4-yl]-4-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine
Categories:
Biochemical Engineering > Inhibitors

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PF-04981517 Basic Attributes

Molecular Weight：

456.58588

Exact Mass：

456.275

UNII：

ZRD2TT3Y1T

DSSTox ID：

DTXSID60747404

Characteristics

PSA：

67.9

XLogP3：

3.7

Storage Conditions：

room temp

Drug Information

MeSH Entry Terms：

1-methyl-3-(1-methyl-5-(4-methylphenyl)-1H-pyrazol-4-yl)-4-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-pyrazolo(3,4-d)pyrimidine

PF-04981517 Use and Manufacturing

CYP3cide is a potent and selective time dependent inactivator of Cytochrome P450 3A4 (CYP3A4). CYP3A4 is an important enzymes involved in the metabolism of xenobiotics in the human body and constitutes to about a quarter of all CYPs in the human body. CYP3cide provides a useful in vitro tool in defining the individual roles of CYP3A4 versus CYP3A5 in the metabolism of drugs.

Computed Properties

Molecular Weight:456.6
XLogP3:3.7
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:456.27499305
Monoisotopic Mass:456.27499305
Topological Polar Surface Area:67.9
Heavy Atom Count:34
Complexity:678
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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PF-04981517

CAS No.: 1390637-82-7

Content: 95%

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