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RSV-IN-1 - 99%, high purity , CAS No.861139-16-4

COA

Grade & Purity:

≥99%

Cas Number: 861139-16-4
Molecular Weight: 427.48
PubChem CID: 3943763

In stock

Item Number

R648139

Grouped product items
SKU	Size	Availability	Price
R648139-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$128.90
R648139-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$270.90
R648139-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$459.90

View related series

Anti-infection (2803) RSV (40) Virus (1811)

Basic Description

Specifications & Purity	≥99%
Biochemical and Physiological Mechanisms	RSV-IN-1 is a human respiratory syncytical virus (hRSV) inhibitor, with an IC 50 of 0.11 μM.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	RSV-IN-1 is a human respiratory syncytical virus (hRSV) inhibitor, with an IC 50 of 0.11 μM. In Vitro The concentration of P13 that reduces the number of RSV plaques in HEp-2 cells by 50% (IC 50 ) is 0.11 μM. The concentration of P13 that reduces the viability of HEp-2 by 50% (CC 50 ) is 310 μM. Note that some cytotoxicity of P13 observed at 500 μM might be due to DMSO solvent. Hence, the selective index (CC 50 /IC 50 ) values is 2818 for P13. Note that even at the relatively high concentrations P13 does not completely block the development of RSV plaques. These escape plaques are of smaller size and of non-syncytial phenotype as compared to plaques formed in the absence of inhibitor. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:IC50: 0.11μM (hRSV)

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazanaphthalenes
    - Subclass Benzodiazines
      - Level5 Phthalazines
        Level6 1,2,4-triazolo[3,4-a]phthalazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazanaphthalenes
Subclass	Benzodiazines
Intermediate Tree Nodes	Phthalazines
Direct Parent	1,2,4-triazolo[3,4-a]phthalazines
Alternative Parents	Phenyl-1,2,4-triazoles Benzenesulfonamides Benzenesulfonyl compounds Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Pyridazines and derivatives Organosulfonamides Aminosulfonyl compounds Heteroaromatic compounds Alkanolamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Primary alcohols
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1,2,4-triazolo[3,4-a]phthalazine - Phenyltriazole - Phenyl-1,2,4-triazole - Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Pyridazine - Organosulfonic acid amide - Benzenoid - Heteroaromatic compound - Aminosulfonyl compound - Azole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Triazole - 1,2,4-triazole - Ether - Alkanolamine - Azacycle - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary alcohol - Organic nitrogen compound - Organic oxygen compound - Alcohol - Organic oxide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 1,2,4-triazolo[3,4-a]phthalazines. These are aromatic heteropolycyclic compounds containing a 1,2,4-triazole fused to and sharing a nitrogen atom with the diazine ring of a phthalazine moiety.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	N-(2-hydroxyethyl)-4-methoxy-N-methyl-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide
INCHI	InChI=1S/C20H21N5O4S/c1-13-15-6-4-5-7-16(15)19-21-22-20(25(19)23-13)17-12-14(8-9-18(17)29-3)30(27,28)24(2)10-11-26/h4-9,12,26H,10-11H2,1-3H3
InChIKey	RKHSOIYWKCMPHF-UHFFFAOYSA-N
Smiles	CC1=NN2C(=NN=C2C3=C(C=CC(=C3)S(=O)(=O)N(C)CCO)OC)C4=CC=CC=C14
Isomeric SMILES	CC1=NN2C(=NN=C2C3=C(C=CC(=C3)S(=O)(=O)N(C)CCO)OC)C4=CC=CC=C14
PubChem CID	3943763
MeSH Entry Terms	N-(2-hydroxyethyl)-4-methoxy-N-methyl-3-(6-methyl(1,2,4)triazolo(3,4-a)phthalazin-3-yl)benzenesulfonamide;N-HMMMTPB cpd
Molecular Weight	427.48

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	DMSO : 100 mg/mL (233.93 mM; Need ultrasonic)
Molecular Weight	427.500 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	427.131 Da
Monoisotopic Mass	427.131 Da
Topological Polar Surface Area	118.000 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	689.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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