Cenisertib

HCID 11569967
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Grundinformationen

CAS
871357-89-0
Standard-SMILES
Cc1cc(Nc2ncc(F)c(N[C@H]3[C@@H](C(N)=O)[C@@H]4C=C[C@H]3C4)n2)ccc1N1CCN(C)CC1
InChIKey
KSOVGRCOLZZTPF-QMKUDKLTSA-N
Summenformel
C24H30FN7O
Durchschnittliche Molmasse
451,5 g/mol

Überblick

Cenisertib is an aurora kinase inhibitor.

Namen und Bezeichner

Bevorzugter Name
Cenisertib
IUPAC
(1S,2S,3R,4R)-3-[[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
Englischer Name
AS703569
Summenformel
C24H30FN7O
Molmasse
451.54

Namen und Synonyme

Cenisertib871357-89-0AS703569AS-703569(1S,2S,3R,4R)-3-((5-fluoro-2-((3-methyl-4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)bicyclo[2.2.1]hept-5-ene-2-carboxamideR-7635277GPA358R763(1S,2S,3R,4R)-3-[[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamideR 763AS 703569Aurora kinase inhibitor as703569
Weitere Namen anzeigen
R763(AS-703569)AS 703569 (R763CENISERTIB (AS-703569)Cenisertib/AS-703569/R-763)Bicyclo[2.2.1]hept-5-ene-2-carboxamide, 3-[[5-fluoro-2-[[3-methyl-4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]amino]-, (1S,2S,3R,4R)-
Bicyclo(2.2.1)hept-5-ene-2-carboxamide, 3-((5-fluoro-2-((3-methyl-4-(4-methyl-1-piperazinyl)phenyl)amino)-4-pyrimidinyl)amino)-, (1S,2S,3R,4R)-(1S,2S,3R,4R)-3-((5-FLUORO-2-((3-METHYL-4-(4-METHYLPIPERAZIN-1-YL)PHENYL)AMINO)PYRIMIDIN-4-YL)AMINO)BICYCLO(2.2.1)HEPT-5-ENE-2-CARBOXAMIDEcenisertibumDTXSID20236147(1S,2S,3R,4R)-3-((5-fluoro-2-(3-methyl-4-(4-methylpiperazin-1-yl)anilino)pyrimidin-4-yl)amino)bicyclo(2.2.1)hept-5-ene-2-carboxamide(1S,2S,3R,4R)-3-[(5-fluoro-2-{[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]bicyclo[2.2.1]hept-5-ene-2-carboxamideRefChem:124323DTXCID20158638

Datenbank-Bezeichner

CAS
871357-89-0
PubChem CID
11569967
ChEMBL
CHEMBL1614709、CHEMBL1967878
UNII
5277GPA358

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,2
Polarare Oberfläche (TPSA)
99,4 Ų
H-Brücken-Donoren
3
H-Brücken-Akzeptoren
8
Frei drehbare Bindungen
6
Schwere Atome
33

Experimentelle und physikochemische Eigenschaften

LogP3.49

Physikochemische Eigenschaften

Siedepunkt
708.3 · 708.3±70.0 °C(Predicted)
Dichte
1.335 · 1.335±0.06 g/cm3(Predicted)
storage temp.
-20 °C · Store at -20°C
Löslichkeit
250 mg/mL · DMSO: 250 mg/mL (553.66 mM)
Aggregatzustand
Solid
pka
16.24 · 16.24±0.40(Predicted)

Chemie und Industrie

Pharmakologische Informationen

Mechanism of Action · 1 Eintrag

R763 is a highly potent and specific inhibitor of Aurora kinase, which has been shown to block proliferation and trigger apoptosis (cell death) in several tumor cell lines including cervical, colon, lung, pancreas and prostate. The over-expression of Aurora kinase can cause cells to rapidly develop an abnormal number of chromosomes. Elevated levels of Aurora kinase are frequently associated with various human cancers and inhibition of this enzyme disrupts cell division and promotes apoptosis. [Rigel Pharmaceuticals Press Release] A probable target for R763 is Aurora kinase A (serine/threonine protein kinase 6).

Anbieter19 Anbieter

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
Wuhan NCE Biomedical Co.,Ltd.4000-027-021 |24 +86-13986109188 | +86-15623472865 | +81-08033611988

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