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Small Molecules & Compound Libraries
Delavirdine Mesylate - 10mM in DMSO, high purity , Human immunodeficiency virus type 1 reverse transcriptase inhibitor, CAS No.147221-93-0(DMSO), Human immunodeficiency virus type 1 reverse transcriptase inhibitor
Delavirdine Mesylate - 10mM in DMSO, high purity , Human immunodeficiency virus type 1 reverse transcriptase inhibitor, CAS No.147221-93-0(DMSO), Human immunodeficiency virus type 1 reverse transcriptase inhibitor
Non-nucleoside reverse transcriptase inhibitor
Basic Description
Synonyms
DELAVIRDINE MESYLATE | 147221-93-0 | Delavirdine (mesylate) | Delavirdine mesilate | Rescriptor | U-90152S | delavirdine methanesulfonate | Delavirdine monomethanesulfonate | Delavirdine mesylate [USAN] | UNII-421105KRQE | CHEBI:4379 | N-(2-(4-(3-(isopropylamino)pyridin-2-yl)p
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
Non-nucleoside reverse transcriptase inhibitor (NNRTI). Selectively inhibits HIV-1 reverse transcriptase (RNA-dependent DNA polymerase) over other cellular polymerases (IC50values are 0.26, 440 and >550μM for HIV-1 reverse transcriptase, DNA polymeraseαan
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
INHIBITOR
Mechanism of action
Human immunodeficiency virus type 1 reverse transcriptase inhibitor
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazinanes
Subclass
Piperazines
Intermediate Tree Nodes
Not available
Direct Parent
Pyridinylpiperazines
Alternative Parents
Indolecarboxamides and derivatives N-arylpiperazines Sulfanilides Indoles 2-heteroaryl carboxamides Pyrrole carboxamides Dialkylarylamines Aminopyridines and derivatives Secondary alkylarylamines Substituted pyrroles Imidolactams Organosulfonamides Organic sulfonamides Alkanesulfonic acids Heteroaromatic compounds Organosulfonic acids Aminosulfonyl compounds Methanesulfonates Tertiary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organooxygen compounds Organic oxides
Molecular Framework
Not available
Substituents
Indolecarboxamide derivative - Indolecarboxylic acid derivative - Pyridinylpiperazine - N-arylpiperazine - Sulfanilide - Indole - Indole or derivatives - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Dialkylarylamine - Pyrrole-2-carboxylic acid or derivatives - Aminopyridine - Secondary aliphatic/aromatic amine - Pyridine - Imidolactam - Benzenoid - Substituted pyrrole - Organic sulfonic acid amide - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Alkanesulfonic acid - Aminosulfonyl compound - Tertiary carboxylic acid amide - Pyrrole - Heteroaromatic compound - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Methanesulfonate - Carboxamide group - Amino acid or derivatives - Secondary amine - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.
External Descriptors
methanesulfonate salt
Data sources
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
methanesulfonic acid;N-[2-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide
INCHI
InChI=1S/C22H28N6O3S.CH4O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20;1-5(2,3)4/h4-8,13-15,24-26H,9-12H2,1-3H3;1H3,(H,2,3,4)
InChIKey
MEPNHSOMXMALDZ-UHFFFAOYSA-N
Smiles
CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NS(=O)(=O)C.CS(=O)(=O)O
Isomeric SMILES
CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NS(=O)(=O)C.CS(=O)(=O)O
WGK Germany
2
Molecular Weight
552.67
Reaxy-Rn
7617470
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7617470&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Solvent:DMSO, Max Conc. mg/mL: 41.45, Max Conc. mM: 75
Sensitivity
sensitive to humidity
Flash Point(°F)
35.6°F
Flash Point(°C)
2°C
Molecular Weight
552.700 g/mol
XLogP3
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
10
Rotatable Bond Count
6
Exact Mass
552.182 Da
Monoisotopic Mass
552.182 Da
Topological Polar Surface Area
182.000 Ų
Heavy Atom Count
37
Formal Charge
0
Complexity
842.000
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
2
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