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Dapivirine (TMC120) - ≥98%, high purity , Reverse transcriptase inhibitor, CAS No.244767-67-7, Reverse transcriptase inhibitor

COA

Grade & Purity:

≥98%

Cas Number: 244767-67-7
Molecular Weight: 329.4
PubChem CID: 214347

In stock

Item Number

D129795

Grouped product items
SKU	Size	Availability	Price
D129795-5mg	5mg	3	$97.90
D129795-25mg	25mg	2	$261.90
D129795-100mg	100mg	2	$423.90

View related series

Anti-infection (2803) Apoptosis (4276) Autophagy (1917) HIV (254) Reverse Transcriptase (71) Virus (1811)

Basic Description

Synonyms	TMC120-R147681 \| DAPIVIRINE,4-[[4-(2,4,6-TRIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL]AMINO]BENZONITRILE \| 4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzonitrile \| BDBM50467334 \| Ethanone, 1-[4-trifluoromethylphenyl]- \| R147681 \| R-147681 \| TMC-120/R-147
Specifications & Purity	≥98%
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.
Action Type	INHIBITOR
Mechanism of action	Reverse transcriptase inhibitor
Product Description	Dapivirine (TMC120) is a non-nucleoside inhibitor for HIV reverse transcriptase with IC50 of 24 nM, inhibits a broad panel of HIV-1 isolates from different classes, inclucing a wide range of NNRTI-resistant isolates.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzonitriles

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzonitriles
Intermediate Tree Nodes	Not available
Direct Parent	Benzonitriles
Alternative Parents	Aniline and substituted anilines Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Secondary amines Nitriles Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzonitrile - Aniline or substituted anilines - Aminopyrimidine - Pyrimidine - Imidolactam - Heteroaromatic compound - Carbonitrile - Nitrile - Secondary amine - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Amine - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
External Descriptors	aminopyrimidine - nitrile
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

Product Properties

ALogP	4.8

Associated Targets(Human)

Caco-2 (12174 Activities)

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MT2 (2907 Activities)

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MT4 (17854 Activities)

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HepG2 (196354 Activities)

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PBMC (10003 Activities)

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Associated Targets(non-human)

pol Human immunodeficiency virus type 1 reverse transcriptase (18245 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Leishmania infantum (5912 Activities)

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Trypanosoma brucei brucei (13300 Activities)

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Plasmodium falciparum (966862 Activities)

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Trypanosoma cruzi (99888 Activities)

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Human immunodeficiency virus 1 (70413 Activities)

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Trypanosoma brucei rhodesiense (7991 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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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	4-[[4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzonitrile
INCHI	InChI=1S/C20H19N5/c1-13-10-14(2)19(15(3)11-13)24-18-8-9-22-20(25-18)23-17-6-4-16(12-21)5-7-17/h4-11H,1-3H3,(H2,22,23,24,25)
InChIKey	ILAYIAGXTHKHNT-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C(=C1)C)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C
Isomeric SMILES	CC1=CC(=C(C(=C1)C)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C
Molecular Weight	329.4
Reaxy-Rn	8934631
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8934631&ln=

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

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Lot Number	Certificate Type	Date	Item
B1526028	Certificate of Analysis	Sep 16, 2022	D129795

Chemical and Physical Properties

Solubility	DMSO 34 mg/mL Water Ethanol
Molecular Weight	329.400 g/mol
XLogP3	4.800
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	329.164 Da
Monoisotopic Mass	329.164 Da
Topological Polar Surface Area	73.600 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	452.000
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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Dapivirine (TMC120) - ≥98%, high purity , Reverse transcriptase inhibitor, CAS No.244767-67-7, Reverse transcriptase inhibitor

Basic Description

Taxonomic Classification

Product Properties

Associated Targets(Human)

Associated Targets(non-human)

Mechanisms of Action

Names and Identifiers

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

Chemical and Physical Properties

Solution Calculators

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

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