ChemicalBook CAS DataBase List 1639009-81-6

1639009-81-6

Name	CD532
CAS	1639009-81-6
Molecular Formula	C26H25F3N8O
Molecular Weight	522.52
MOL File	1639009-81-6.mol

Chemical Properties

density	1.464±0.06 g/cm3(Predicted)
storage temp.	-20°C
solubility	Ethanol: soluble
form	A solid
pka	13.86±0.70(Predicted)
color	White to off-white
InChIKey	GBMIFBVLJSCVJT-UHFFFAOYSA-N
SMILES	O=C(NC1=CC=CC(C(F)(F)F)=C1)NC2=CC=C(NC3=NC=CC(NC4=NNC(C5CCCC5)=C4)=N3)C=C2

Safety Data

WGK Germany	WGK 3
Storage Class	11 - Combustible Solids

Hazard Information

Uses

CD532 is a potent Aurora A kinase inhibitor with an IC50 of 45 nM. CD532 has the dual effect of blocking Aurora A kinase activity and driving degradation of MYCN. CD532 also can directly interact with AURKA and induces a global conformational shift. CD532 can be used for the research of cancer[1][2].

Definition

ChEBI: CD532 is a member of the class of phenylureas that is urea with 4-[[4-[(5-cyclopentylpyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl and 3-[3-(trifluoromethyl)phenyl substituents at positions N1 and N3. It has a role as an antineoplastic agent. It is an aminopyrimidine, a secondary amino compound, a member of pyrazoles, a member of cyclopentanes and a member of phenylureas.

Biological Activity

Cell permeable: yes''Primary Target
Aurora A''Reversible: yes''Secondary Target
MYCN

in vivo

CD532 (25 mg/kg; i.p. twice weekly for 3 weeks) decreases the tumor volume and increases survival in mice with subcutaneous sonic hedgehog (SHH)-subtype medulloblastoma^[1].
CD532 (60 mg/kg; i.p. for 2 days) decreases the level of MYCN protein in MYCN-amplified neuroblastoma xenografts^[1].
CD532 (20 mg/kg; i.p.) shows a serum half-life of ~1.5 hours and AUC0-24 of 27 μM?h in mice^[1].

Animal Model:	Homozygous nu/nu mice with SHH-subtype MYCN-expressing medulloblastoma^[1]
Dosage:	25 mg/kg
Administration:	I.p. twice weekly for 3 weeks
Result:	Decreased the level of MYCN protein and tumor volume and increases survival.

IC 50

Aurora A: 45 nM (IC₅₀)

storage

-20°C

References

[1] Gustafson WC, et, al. Drugging MYCN through an allosteric transition in Aurora kinase A. Cancer Cell. 2014 Sep 8;26(3):414-427. DOI:10.1016/j.ccr.2014.07.015
[2] Lee JK, et, al. N-Myc Drives Neuroendocrine Prostate Cancer Initiated from Human Prostate Epithelial Cells. Cancer Cell. 2016 Apr 11;29(4):536-547. DOI:10.1016/j.ccell.2016.03.001

Spectrum Detail

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