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16413-26-6

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16413-26-6 Usage

Chemical Properties

Off-white to slightly yellow low melting solid

Uses

3-Cyanophenyl isocyanate serves as a starting reagent in the synthesis of R/S-4-(3-chlorophenylaminocarbonylamino)-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran and 1-(3-cyanophenyl)-3-(2-methoxy-6-pentadecylbenzyl)urea.

Check Digit Verification of cas no

The CAS Registry Mumber 16413-26-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,6,4,1 and 3 respectively; the second part has 2 digits, 2 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 16413-26:
(7*1)+(6*6)+(5*4)+(4*1)+(3*3)+(2*2)+(1*6)=86
86 % 10 = 6
So 16413-26-6 is a valid CAS Registry Number.
InChI:InChI=1/C8H4N2O/c9-5-7-2-1-3-8(4-7)10-6-11/h1-4H

16413-26-6 Well-known Company Product Price

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  • (Code)Product description
  • CAS number
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  • Detail
  • Alfa Aesar

  • (L09432)  3-Cyanophenyl isocyanate, 97%   

  • 16413-26-6

  • 1g

  • 305.0CNY

  • Detail
  • Alfa Aesar

  • (L09432)  3-Cyanophenyl isocyanate, 97%   

  • 16413-26-6

  • 5g

  • 845.0CNY

  • Detail
  • Aldrich

  • (439991)  3-Cyanophenylisocyanate  97%

  • 16413-26-6

  • 439991-5G

  • 1,261.26CNY

  • Detail

16413-26-6SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Cyanophenyl isocyanate

1.2 Other means of identification

Product number -
Other names 3-isocyanatobenzonitrile

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:16413-26-6 SDS

16413-26-6Relevant articles and documents

Development of potent and selective inhibitors targeting the papain-like protease of SARS-CoV-2

Shan, Hengyue,Liu, Jianping,Shen, Jiali,Dai, Jialin,Xu, Gang,Lu, Kuankuan,Han, Chao,Wang, Yaru,Xu, Xiaolong,Tong, Yilun,Xiang, Huaijiang,Ai, Zhiyuan,Zhuang, Guanglei,Hu, Junhao,Zhang, Zheng,Li, Ying,Pan, Lifeng,Tan, Li

, p. 855 - 9,865 (2021/05/18)

The COVID-19 pandemic has been disastrous to society and effective drugs are urgently needed. The papain-like protease domain (PLpro) of SARS-CoV-2 (SCoV2) is indispensable for viral replication and represents a putative target for pharmacological intervention. In this work, we describe the development of a potent and selective SCoV2 PLpro inhibitor, 19. The inhibitor not only effectively blocks substrate cleavage and immunosuppressive function imparted by PLpro, but also markedly mitigates SCoV2 replication in human cells, with a submicromolar IC50. We further present a convenient and sensitive activity probe, 7, and complementary assays to readily evaluate SCoV2 PLpro inhibitors in vitro or in cells. In addition, we disclose the co-crystal structure of SCoV2 PLpro in complex with a prototype inhibitor, which illuminates their detailed binding mode. Overall, these findings provide promising leads and important tools for drug discovery aiming to target SCoV2 PLpro.

Phenotypic Optimization of Urea-Thiophene Carboxamides to Yield Potent, Well Tolerated, and Orally Active Protective Agents against Aminoglycoside-Induced Hearing Loss

Chowdhury, Sarwat,Owens, Kelly N.,Herr, R. Jason,Jiang, Qin,Chen, Xinchao,Johnson, Graham,Groppi, Vincent E.,Raible, David W.,Rubel, Edwin W,Simon, Julian A.

supporting information, p. 84 - 97 (2018/02/10)

Hearing loss is a major public health concern with no pharmaceutical intervention for hearing protection or restoration. Using zebrafish neuromast hair cells, a robust model for mammalian auditory and vestibular hair cells, we identified a urea-thiophene carboxamide, 1 (ORC-001), as protective against aminoglycoside antibiotic (AGA)-induced hair cell death. The 50% protection (HC50) concentration conferred by 1 is 3.2 μM with protection against 200 μM neomycin approaching 100%. Compound 1 was sufficiently safe and drug-like to validate otoprotection in an in vivo rat hearing loss model. We explored the structure-activity relationship (SAR) of this compound series to improve otoprotective potency, improve pharmacokinetic properties and eliminate off-target activity. We present the optimization of 1 to yield 90 (ORC-13661). Compound 90 protects mechanosensory hair cells with HC50 of 120 nM and demonstrates 100% protection in the zebrafish assay and superior physiochemical, pharmacokinetic, and toxicologic properties, as well as complete in vivo protection in rats.

Biological activity of analogues of YM022. Novel (3-amino substituted phenyl)urea derivatives of 1,4-benzodiazepin-2-one as gastrin/cholecystokinin-B receptor antagonists

Satoh, Masato,Okamoto, Yoshinori,Koshio, Hiroyuki,Ohta, Mitsuaki,Nishida, Akito,Akuzawa, Shinobu,Miyata, Keiji,Mase, Toshiyasu,Semple, Graeme

, p. 1412 - 1414 (2007/10/03)

A series of (3-substituted phenyl)urea analogues of the potent gastrin/cholecystokinin (CCK)-B receptor antagonist YM022 has been prepared. Structure activity relationship studies of this series suggested that a number of analogues retained good in vitro potency for gastrin/CCK-B receptor. In particular, the (3-amino substituted phenyl)urea derivatives (10-12) were more potent inhibitors of pentagastrin-induced gastric acid secretion in rats than YM022 on intraduodenal (i.d.) administration.

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