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949898-66-2

949898-66-2 Structure

949898-66-2 Structure
IdentificationBack Directory
[Name]

SID 24769845
[CAS]

949898-66-2
[Synonyms]

AS-136A
CID 16122506
SID 24769845
2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
1-Methyl-N-[4-(1-piperidinylsulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
1H-Pyrazole-5-carboxamide, 1-methyl-N-[4-(1-piperidinylsulfonyl)phenyl]-3-(trifluoromethyl)-
[Molecular Formula]

C17H19F3N4O3S
[MDL Number]

MFCD16875415
[MOL File]

949898-66-2.mol
[Molecular Weight]

416.42
Chemical PropertiesBack Directory
[density ]

1.47±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMSO: >10mg/mL
[form ]

powder
[pka]

12.28±0.70(Predicted)
[color ]

white to off-white
[InChI]

1S/C17H19F3N4O3S/c1-23-14(11-15(22-23)17(18,19)20)16(25)21-12-5-7-13(8-6-12)28(26,27)24-9-3-2-4-10-24/h5-8,11H,2-4,9-10H2,1H3,(H,21,25)
[InChIKey]

OJDLQNVQEAZKSL-UHFFFAOYSA-N
[SMILES]

Cn1nc(cc1C(=O)Nc2ccc(cc2)S(=O)(=O)N3CCCCC3)C(F)(F)F
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22-36
[Safety Statements ]

26
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Hazard InformationBack Directory
[Uses]

AS-136A is a small molecule developed as part of the NIH Probes effort. AS-136A is a potent measles virus (MeV) RNA-dependent RNA polymerase (RdRp) inhibitor. AS-136A is very stable, decreases virus titer after 24 hours in physiological conditions, and serves as a positive control in MeV inhibitory assays.
[Biochem/physiol Actions]

AS-136A is a potent measles virus RdRp inhibitor. Measles virus (MV) is a member of the paramyxovirus family. Ribavirin (R9644) is the only drug available for treatment of paramyxoviruses, and it has limited efficacy against MV. A series of small molecules has been developed to inhibit viral RNA-dependent RNA polymerase (RdRp), a protein vital to infection leading to the development of AS-136A, a very potent RdRp inhibitor. AS-136A has high stability and continues to decrease virus titer after 24 hours in physiologic conditions. AS-136A is now used as a positive control in experiments assaying MV inhibition. This compound is a product of the NIH Probes effort, also known as SID 24769845.
Spectrum DetailBack Directory
[Spectrum Detail]

SID 24769845(949898-66-2)1HNMR
949898-66-2 suppliers list
Company Name: Sigma-Aldrich  
Telephone: 021-61415566 800-8193336
Website: https://www.sigmaaldrich.cn
Company Name: TargetMol Chemicals Inc.  
Telephone: 15002134094
Website: https://www.targetmol.cn/
Company Name: Shanghai Amole Biotechnology Co., Ltd.  
Telephone: 13370042665 18916960931
Website: www.amole.com.cn/
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