Cyclopropavir - ≥98% , CAS No.632325-71-4

CAS: 632325-71-4 Cat. No.: C646362 Molecular Weight: 263.25 PubChem CID: 135409256

GRADE & PURITY ≥98%

Synonyms

METHYL OLEATE (USP-RS) | 2-amino-9-[(Z)-[2,2-bis(hydroxymethyl)cyclopropylidene]methyl]-3H-purin-6-one | 2-amino-9-[(Z)-[2,2-bis(hydroxymethyl)cyclopropylidene]methyl]-1H-purin-6-one | Cymoxanil 100 microg/mL in Methyl-tert-butyl ether | ZSM-162 | ZSM-I62

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Cyclopropavir (Filociclovir; ZSM-I-62; MBX-400) is a broad-spectrum anti-herpesvirus compound, has good antiviral activity against cytomegalovirus (CMV), herpes simplex virus (HHV)-6 and HHV-8 with EC 50 s of 0.7 μM to 8 μM.

Form:Solid

Specifications

Synonyms

METHYL OLEATE (USP-RS) | 2-amino-9-[(Z)-[2, 2-bis(hydroxymethyl)cyclopropylidene]methyl]-3H-purin-6-one | 2-amino-9-[(Z)-[2, 2-bis(hydroxymethyl)cyclopropylidene]methyl]-1H-purin-6-one | Cymoxanil 100 microg/mL in Methyl-tert-butyl ether | ZSM-162 | ZSM-I62

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Cyclopropavir (Filociclovir; ZSM-I-62; MBX-400) is a broad-spectrum anti-herpesvirus compound, has good antiviral activity against cytomegalovirus (CMV), herpes simplex virus (HHV)-6 and HHV-8 with EC 50 s of 0.7 μM to 8 μM.

Storage

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1C(=CN2C=NC3=C2N=C(NC3=O)N)C1(CO)CO
• IUPAC Name: 2-amino-9-[(Z)-[2,2-bis(hydroxymethyl)cyclopropylidene]methyl]-1H-purin-6-one
• InChIKey: KMUNHOKTIVSFRA-KXFIGUGUSA-N
• INCHI: 1S/C11H13N5O3/c12-10-14-8-7(9(19)15-10)13-5-16(8)2-6-1-11(6,3-17)4-18/h2,5,17-18H,1,3-4H2,(H3,12,14,15,19)/b6-2-
• Isomeric SMILES: C1/C(=C/N2C=NC3=C2N=C(NC3=O)N)/C1(CO)CO
• Alternate CAS: 632325-71-4
• PubChem CID: 135409256
• MeSH Entry Terms: (Z)-9-((2,2-bis-(hydroxymethyl)cyclopropylidene)methyl)guanine;9-((2,2-bis(hydroxymethyl)cyclopropylidene)methyl)guanine;cyclopropavir;MMV1782220;ZDM-I-62
• Molecular Weight: 263.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Imidazopyrimidines
      • Subclass Purines and purine derivatives
        • Level5 Purinones
          • Level6 Hypoxanthines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Purinones
• Direct Parent: Hypoxanthines
• Alternative Parents: 6-oxopurines Pyrimidones Aminopyrimidines and derivatives N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Azacyclic compounds Primary amines Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 6-oxopurine - Hypoxanthine - Aminopyrimidine - Pyrimidone - Pyrimidine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Azacycle - Organooxygen compound - Organonitrogen compound - Primary amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Alcohol - Primary alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
• External Descriptors: Not available

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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

Daudi (625 Activities)

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MOLT-3 (638 Activities)

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HEK293 (82097 Activities)

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HFF (3142 Activities)

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HepG2 (196354 Activities)

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KB (17409 Activities)

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Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Human alphaherpesvirus 2 (4932 Activities)

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Human gammaherpesvirus 4 (1538 Activities)

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Human alphaherpesvirus 3 (4092 Activities)

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Human betaherpesvirus 5 (5122 Activities)

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Human alphaherpesvirus 1 (11089 Activities)

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Murid betaherpesvirus 1 (143 Activities)

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Hepatitis B virus (7925 Activities)

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Hepatitis C virus (23859 Activities)

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MEF (1005 Activities)

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Human gammaherpesvirus 8 (66 Activities)

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UL97 Phosphotransferase pUL97 (4 Activities)

Discover Target: UL97

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 33.33 mg/mL (126.61 mM; ultrasonic and warming and heat to 60°C)
• Molecular Weight: 263.250 g/mol
• XLogP3: -2.300
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 263.102 Da
• Monoisotopic Mass: 263.102 Da
• Topological Polar Surface Area: 126.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 471.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1