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Reversine

Reversine structure

CAS No:
656820-32-5
Formula:
C21H27N7O
Chemical Name:
Reversine
Synonyms:
9H-Purine-2,6-diamine,N6-cyclohexyl-N2-[4-(4-morpholinyl)phenyl]-;1H-Purine-2,6-diamine,N6-cyclohexyl-N2-[4-(4-morpholinyl)phenyl]-;N6-Cyclohexyl-N2-[4-(4-morpholinyl)phenyl]-9H-purine-2,6-diamine;Reversine
Categories:
Biochemical Engineering > Inhibitors

Description

ChEBI: A member of the class of purines that is 9H-purine in which the hydrogens at positions 2 and 6 are replaced by a [4-(morpholin-4-yl)phenyl]nitrilo group and a cyclohexylamino group, respectively.

Reversine is a member of the class of purines that is 9H-purine in which the hydrogens at positions 2 and 6 are replaced by a [4-(morpholin-4-yl)phenyl]nitrilo group and a cyclohexylamino group, respectively. It has a role as an antineoplastic agent, a cell dedifferentiation agent, an adenosine A3 receptor antagonist and an Aurora kinase inhibitor. It is a member of purines, a member of morpholines, a secondary amino compound and a tertiary amino compound. It derives from a 9H-purine-2,6-diamine.

Reversine Basic Attributes

Molecular Weight：

393.49

Exact Mass：

393.49

UNII：

Z499CLJ023

DSSTox ID：

DTXSID8041113

Characteristics

PSA：

XLogP3：

3.9

Appearance：

solid

Density：

1.343±0.06 g/cm3(Predicted)

Melting Point：

305 °C (decomp)

Boiling Point：

736.4°C at 760 mmHg

Flash Point：

399.2ºC

Refractive Index：

1.711

Water Solubility：

DMSO: 7 mg/mL, soluble

Storage Conditions：

2-8°C

Safety Information

wgk germany：

hazard class code：

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 Entry Terms：

2-(4-morpholinoanilino)-6-cyclohexylaminopurine

Computed Properties

Molecular Weight:393.5
XLogP3:3.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:393.22770851
Monoisotopic Mass:393.22770851
Topological Polar Surface Area:91
Heavy Atom Count:29
Complexity:503
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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