| Identification | Back Directory | [Name]
MFCD00167693 | [CAS]
199735-88-1 | [Synonyms]
HY-107999
MFCD00167693
3-{[(3,4-dichlorophenyl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[[(3,4-dichlorophenyl)amino]carbonyl]- | [Molecular Formula]
C15H13Cl2NO3 | [MDL Number]
MFCD00167693 | [MOL File]
199735-88-1.mol | [Molecular Weight]
326.17 |
| Chemical Properties | Back Directory | [Boiling point ]
569.1±50.0 °C(Predicted) | [density ]
1.529±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,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 |
| Hazard Information | Back Directory | [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 () |
|
| Company Name: |
Bide Pharmatech Ltd.
|
| Telephone: |
400-1647117 13681763483 |
| Website: |
https://www.bidepharm.com/ |
| Company Name: |
InvivoChem
|
| Telephone: |
13549236410 |
| Website: |
https://www.invivochem.cn/ |
|