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Pimonidazole

Pimonidazole structure

CAS No:
70132-50-2
Formula:
C11H18N4O3
Chemical Name:
Pimonidazole
Synonyms:
NSC 380540;Pimonidazole;alpha-((2-Nitroimidazol-1-yl)methyl)-1-piperidineethanol;α-[(2-Nitro-1H-imidazol-1-yl)methyl]-1-piperidineethanol;1-(2-Nitro-1H-imidazol-1-yl)-3-(piperidin-1-yl)-2-propanol;alpha-[(2-Nitro-1H-imidazol-1-yl)methyl]-1-piperidineethanol
Categories:
Organic Chemistry > Nitro Compounds

Description

Pimonidazole is a novel hypoxia marker for complementary study of tumor hypoxia and cell proliferation in tumor. Pimonidazole is used for intravenous administration followed by biopsy, it can be used for qualitative and quantitative assessment of tumor hypoxia[1].Pimonidazole accumulates in hypoxic cells via covalent binding with macromolecules or by forming reductive metabolites after reduction of its nitro group[2].

Pimonidazole is under investigation for the diagnostic of Prostate Cancer and Head and Neck Cancer.

Pimonidazole Basic Attributes

Molecular Weight：

254.29

Exact Mass：

254.137894

NSC Number：

380540

Characteristics

PSA：

87.1

XLogP3：

1.00

Density：

1.4±0.1 g/cm3

Boiling Point：

490.5±55.0 °C at 760 mmHg

Flash Point：

250.5±31.5 °C

Refractive Index：

1.642

Safety Information

Transport codes：

NONH for all modes of transport

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Drug Information

MeSH：

Drugs used to potentiate the effectiveness of radiation therapy in destroying unwanted cells. (See all compounds classified as Radiation-Sensitizing Agents.)

MeSH Entry Terms：

2-((nitroimidazol-1-yl)methyl)-1-piperdineethanol

Computed Properties

Molecular Weight:254.29
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:254.13789045
Monoisotopic Mass:254.13789045
Topological Polar Surface Area:87.1
Heavy Atom Count:18
Complexity:278
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes