MFCD00167693

Product NameMFCD00167693
CAS199735-88-1
MFC15H13Cl2NO3
MW326.17
EINECS
MOL File199735-88-1.mol

Chemical Properties

Boiling point	569.1±50.0 °C(Predicted)
Density	1.529±0.06 g/cm3(Predicted)
storage temp.	2-8°C
solubility	DMSO:157.5(Max Conc. mg/mL);482.87(Max Conc. mM) Ethanol:65.0(Max Conc. mg/mL);199.28(Max Conc. mM)
form	A solid
pka	4.19±0.40(Predicted)
color	White to off-white
InChI	1S/C15H13Cl2NO3/c16-10-4-3-9(6-11(10)17)18-14(19)12-7-1-2-8(5-7)13(12)15(20)21/h1-4,6-8,12-13H,5H2,(H,18,19)(H,20,21)
InChIKey	YSDNWNOGHQYWPK-UHFFFAOYSA-N
SMILES	O=C(C1C2C=CC(C1C(NC3=CC=C(C(Cl)=C3)Cl)=O)C2)O

Safety Information

WGK Germany	WGK 3
Storage Class	11 - Combustible Solids

Usage And Synthesis

Uses

CADD522 is a potent inhibitor of RUNX2(runt-related transcription factor-2)-DNA.

Biological Activity

CADD522 is a cell-permeable, bioavailable, non-toxic carbamoyl-bicycloheptene-carboxylate th at inhibits RUNX2-DNA binding, thereby increases RUNX2 stability, upregulates RUNX2 expression levels and downregulates RUNX2 responsive genes transcription. CADD522 inhibits mitochondrial oxidative phosphorylation by decreasing the mitochondrial oxygen consumption rate and ATP production in human breast cancer cells in a RUNX2-independent manner. CADD-522 suppresses in vivo tumor growth and metastasis, and appreciably prolongs the survival rates without the need for surgery or chemotherapy.

in vivo

CADD522 (1, 5 and 20 mg/kg; i.p.; twice a week for 45 days) delays the onset of the tumors and suppresses tumor growth in mice^[1].
CADD522 (10 mg/kg; i.p.; twice a week for 11 days) suppresses tumor metastasis and inhibits expression of Ki-67 in mice^[1].

Animal Model:	Female mice (6-week-old; MMTV-PyMT transgenic model)^[1].
Dosage:	1, 5 and 20 mg/kg
Administration:	Intraperitoneal injection; twice a week for 45 days.
Result:	Delayed the onset of the tumors, delayed tumor development and reduced tumor burden in transgenic MMTV-PyMT mice. Reduced the tumor weight in mice.

Animal Model:	Female NOD scid gamma (NSG) mice and nude mice (TNBC-PDX Br-001 model)^[1].
Dosage:	10 mg/kg
Administration:	Intraperitoneal injection; twice a week for 11 days.
Result:	Significant decreased tumor volume and markedly inhibited expression of Ki-67. Inhibited experimental metastasis of BC cells in vivo.(did not significantly decrease body weight or influence the general health of animals).

IC 50

RUNX2: 10 nM ()

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