ChemicalBook--->CAS DataBase List--->334998-36-6

334998-36-6

334998-36-6 Structure

334998-36-6 Structure
IdentificationBack Directory
[Name]

CUR 61414
[CAS]

334998-36-6
[Synonyms]

CUR 61414
N-[(3S,5S)-1-(1,3-Benzodioxol-5-ylmethyl)-5-(1-piperazinylcarbonyl)-3-pyrrolidinyl]-N-[(3-methoxyphenyl)methyl]-3,3-dimethylbutanamide
N-[(3S,5S)-1-(1,3-Benzodioxol-5-ylmethyl)-5-(1-piperazinylcarbonyl)-3-pyrrolidinyl]-N-[(3-methoxyphenyl)methyl]-3,3-dimethyl-benzamide
N-[(3S,5S)-1-(1,3-benzodioxol-5-ylmethyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-[(3-methoxyphenyl)methyl]-3,3-dimethylbutanamide
Butanamide, N-[(3S,5S)-1-(1,3-benzodioxol-5-ylmethyl)-5-(1-piperazinylcarbonyl)-3-pyrrolidinyl]-N-[(3-methoxyphenyl)methyl]-3,3-dimethyl-
[Molecular Formula]

C31H42N4O5
[MDL Number]

MFCD20275055
[MOL File]

334998-36-6.mol
[Molecular Weight]

550.69
Chemical PropertiesBack Directory
[Melting point ]

35-40°C
[Boiling point ]

714.1±60.0 °C(Predicted)
[density ]

1.24±0.1 g/cm3(Predicted)
[storage temp. ]

Hygroscopic, -20°C Freezer, Under Inert Atmosphere
[solubility ]

DMSO: soluble2mg/mL (clear solution, warmed)
[form ]

powder
[pka]

8.42±0.10(Predicted)
[color ]

white to beige
[Stability:]

Stable for 2 years from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20° for up to 2 months.
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

25
[Safety Statements ]

45
[RIDADR ]

UN 2811 6.1 / PGIII
[WGK Germany ]

3
Hazard InformationBack Directory
[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.
[Chemical Properties]

Pale Yellow Solid
[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
[in vitro]

previous study found that cur61414 was able to arrest proliferation of basal cells within the bcc-like lesions and induce cells to undergo apoptosis resulting in complete regression of the lesions, without affecting neighboring skin cells [1].
[in vivo]

the efficacy of cur61414 against basaloid lesions induced when mice were exposed to uv light. these mice were uv irradiated for 6-9 months, producing many microscopic bcc-like basaloid lesions throughout their skin. results showed that the treatment with cur61414 could cause regression of these lesions, as demonstrated by both x-gal staining and histological analyses. moreover, the regression in the cur61414-treated mice seemed to be the result of massive cell death, becuase a significant increase in apoptotic nuclei was seen in basaloid nests after treatment. in addition, no overt toxicity was observed in the skin surrounding the lesions [1].
[IC 50]

100-200 nm for hedgehog-induced cellular activity
[storage]

Store at -20°C
[References]

1) Williams et al. (2003), Identification of a small molecule inhibitor of the hedgehog signaling pathway: effects on basal cell carcinoma-like lesions; Proc.Natl. Acad. Sci. USA, 100 4616 2) Tang et al. (2011), Targeting superficial or nodular Basal cell carcinoma with topically formulated small molecule inhibitor of smoothened; Clin. Cancer Res., 17 3378 3) Athar et al. (2004), Inhibition of smoothened signaling prevents ultraviolet B-induced basal cell carcinomas through regulation of Fas expression and apoptosis; Sci. Signal., 64 7545
Spectrum DetailBack Directory
[Spectrum Detail]

CUR 61414(334998-36-6)1HNMR
334998-36-6 suppliers list
Company Name: ATK CHEMICAL COMPANY LIMITED
Tel: +undefined-21-51877795
Website: www.atkchemical.com
Company Name: TargetMol Chemicals Inc.
Tel: +1-781-999-5354 +1-00000000000 , +1-00000000000
Website: https://www.targetmol.com/
Company Name: VladaChem GmbH
Tel: +49-7246-3082843
Website: https://www.vladachem.com/search.php
Company Name: J & K SCIENTIFIC LTD.  
Tel: 010-82848833 400-666-7788
Website: http://www.jkchemical.com
Company Name: Chemsky(shanghai)International Co.,Ltd.  
Tel: 021-50135380
Website: www.shchemsky.com
Company Name: Shanghai TaoSu Biochemical Technology Co., Ltd.  
Tel: 021-33632979
Website: www.tsbiochem.com
Company Name: Shanghai Han-Xiang Chemical Co., Ltd.  
Tel: 15971444841
Website: www.biochempartner.com.cn
Company Name: Shenzhen Polymeri Biochemical Technology Co., Ltd.  
Tel: +86-400-002-6226 +86-13028896684;
Website: https://www.rrkchem.com
Company Name: BOC Sciences  
Tel:
Website: https://www.bocsci.com
Company Name: Jinan ponder chemical co. LTD  
Tel: 0531-0000
Website: www.chemicalbook.com/showsupplierproductslist546697/0.htm
Company Name: ChemeGen(Shanghai) Biotechnology Co.,Ltd.  
Tel: 18818260767
Website: www.chemegen.com
Company Name: MedBioPharmaceutical Technology Inc  
Tel: 021-69568360 18916172912
Website: http://www.med-bio.cn/
Company Name: TargetMol Chemicals Inc.  
Tel: 4008200310
Website: https://www.targetmol.cn/
Company Name: Shanghai Tachizaki Biomedical Research Center  
Tel: 18014399201
Website: http://www.chemlab-tachizaki.com/
Company Name: Shanghai Yiyan Biotechnology Co. , Ltd.  
Tel: 021-69985186 13611928337
Website: www.chemicalbook.com/showsupplierproductslist1691458/0.htm
Company Name: Nanjing Tengyi Biotechnology Co., Ltd  
Tel: 025-58851786 17714337195
Website: https://tybiochem.com/
Company Name: https://hanhongsci.com/  
Tel: 021-54306202 18917919676
Website: https://www.hanhongsci.com/
Company Name: RD International Technology Co., Limited  
Tel: 18024082417
Website: www.ruidiresearch.com
Tags:334998-36-6 Related Product Information
30562-34-6 461054-93-3 244240-24-2 269390-77-4