SML0386
CUR61414
≥98% (HPLC)
别名:
N-[(3S,5S)-1-(1,3-Benzodioxol-5-ylmethyl)-5-(1-piperazinylcarbonyl)-3-pyrrolidinyl]-N-[(3-methoxyphenyl)methyl]-3,3-dimethyl-benzamide
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关于此项目
经验公式（希尔记法）:
C31H42N4O5
化学文摘社编号:
分子量:
550.69
UNSPSC Code:
51111800
PubChem Substance ID:
NACRES:
NA.77
SMILES string
COc1cccc(CN([C@H]2C[C@@H](N(C2)Cc3ccc4OCOc4c3)C(=O)N5CCNCC5)C(=O)CC(C)(C)C)c1
InChI
1S/C31H42N4O5/c1-31(2,3)17-29(36)35(19-22-6-5-7-25(14-22)38-4)24-16-26(30(37)33-12-10-32-11-13-33)34(20-24)18-23-8-9-27-28(15-23)40-21-39-27/h5-9,14-15,24,26,32H,10-13,16-21H2,1-4H3/t24-,26+/m0/s1
InChI key
WPHXYKUPFJRJDK-AZGAKELHSA-N
assay
≥98% (HPLC)
form
powder
color
white to beige
solubility
DMSO: 2 mg/mL (clear solution, warmed)
storage temp.
−20°C
Biochem/physiol Actions
CUR61414 is a Hedgehog pathway inhibitor; Smo antagonist.
CUR61414 specifically binds to, and antagonizes the activity of smoothened (Smo) in the hedgehog signaling pathway. CUR61414 inhibits proliferation and induces apoptosis in tumor cells without affecting non-tumor cells.
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Oral
存储类别
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
法规信息
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