Chemical Property of N-((3S,5S)-1-(Benzo[d][1,3]dioxol-5-ylmethyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl)-N-(3-methoxybenzyl)-3,3-dimethylbutanamide
Chemical Property:
- Vapor Pressure:0mmHg at 25°C
- Melting Point:35-40°C
- Refractive Index:1.616
- Boiling Point:703.51°C at 760 mmHg
- PKA:8.42±0.10(Predicted)
- Flash Point:379.269°C
- PSA：83.58000
- Density:1.25g/cm3
- LogP:3.46820
- Storage Temp.:Hygroscopic, -20?C Freezer, Under Inert Atmosphere
- Solubility.:DMSO: soluble2mg/mL (clear solution, warmed)
- XLogP3:3.3
- Hydrogen Bond Donor Count:1
- Hydrogen Bond Acceptor Count:7
- Rotatable Bond Count:9
- Exact Mass:550.31552045
- Heavy Atom Count:40
- Complexity:859
- Purity/Quality:
-
97% *data from raw suppliers
CUR 61414 *data from reagent suppliers
Safty Information:
- Pictogram(s):
T
- Hazard Codes:T
- Statements:
25
- Safety Statements:
45
- MSDS Files:
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SDS file from LookChem
Useful:
- Canonical SMILES:CC(C)(C)CC(=O)N(CC1=CC(=CC=C1)OC)C2CC(N(C2)CC3=CC4=C(C=C3)OCO4)C(=O)N5CCNCC5
- Isomeric SMILES:CC(C)(C)CC(=O)N(CC1=CC(=CC=C1)OC)[C@H]2C[C@H](N(C2)CC3=CC4=C(C=C3)OCO4)C(=O)N5CCNCC5
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Description
CUR 61414 is a potent inhibitor of hedgehog-induced cellular activity (IC50 = 100-200 nM). It binds directly with the pathway activator Smoothened (Ki = 44 nM). CUR 61414 blocks proliferation and induces apoptosis in mouse basal cell carcinoma and causes regression of basaloid lesions triggered by ultraviolet light in mouse skin.
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Uses
CUR 61414 is a proline derivative as mediator of hedgehog signaling pathways for pharmaceutical and cosmetic uses. CUR 61414 is a Nucleoside analog. CUR 61414 is an antimetabolite antitumor combination Gemcitabine cancer treatment
