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Ibrutinib

Ibrutinib structure

CAS No:
936563-96-1
Formula:
C25H24N6O2
Chemical Name:
Ibrutinib
Synonyms:
2-Propen-1-one,1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-;1-[(3R)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-2-propen-1-one;PCI 32765;PCI 32765-00;CRA 032765;Ibrutinib;JNJ 02;Imbruvica;(R)-1-(3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one;1-[(3R)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[4-Amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one;1881245-94-8
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Description

Ibrutinib (PCI-32765) is a selective, irreversible Btk inhibitor with an IC50 of 0.5 nM.

Ibrutinib Basic Attributes

Molecular Weight：

440.5

Exact Mass：

440.50

EC Number：

1308068-626-2

Characteristics

PSA：

99.2

XLogP3：

3.6

Density：

1.34

Melting Point：

149-158ºC

Boiling Point：

715.0±60.0°C at 760 mmHg

Flash Point：

386.2±32.9 °C

Refractive Index：

1.696

Water Solubility：

Freely soluble in dimethyl sulfoxide; soluble in methanol

Storage Conditions：

Conditions for safe storage, including any incompatibilities: Keep container tightly sealed in cool, well-ventilated area. Keep away from direct sunlight and sources of ignition. Recommended storage temperature: Store at -20 deg C.

Vapor Pressure：

3.97X10-15 mm Hg at 25 deg C (est)

PKA：

3.74None

Safety Information

Precautionary statement(s)：

P201, P202, P260, P261, P264, P270, P271, P273, P280, P281, P301+P312, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P314, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, P501

Hazard Statements：

H302

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