Virustomycin A

CAT: 0804-HY-126571Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-126571Size:1 mg

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Description

Virustomycin A is a nature product that could be isolated from Streptomyces. Virustomycin A has selective and potent antitrypanosomal activity[1][2].

CAS Number

84777-85-5

UNSPSC

12352005

Hazard Statement

H302+H332-H319

Target

Parasite

Type

Reference compound

Related Pathways

Anti-infection

Applications

COVID-19-anti-virus

Field of Research

Infection

Assay Protocol

https://www.medchemexpress.com/virustomycin-a.html

Solubility

10 mM in DMSO

Smiles

O=C(O[C@@H]1C[C@](O)([C@@H](C)[C@H](O)[C@@H]([C@H]([C@@H](OC)/C=C/C=C(C)/C[C@@H](C)[C@H](O)[C@H](CC)[C@H](O)[C@H](C)/C=C(C)/C=C2\OC)OC2=O)C)O[C@H](/C=C/C)[C@H]1C)/C=C/C(NC3=C(O)CCC3=O)=O

Molecular Formula

C48H71NO14

Molecular Weight

886.08

Precautions

P261-P264-P270-P271-P280-P304+P340-P305+P351+P338-P330-P501

References & Citations

[1]Otoguro K, et, al. Selective and potent in vitro antitrypanosomal activities of ten microbial metabolites. J Antibiot (Tokyo) . 2008 Jun;61 (6) :372-8.|[2]Nara A, et, al. Characterization of bafilomycin biosynthesis in Kitasatospora setae KM-6054 and comparative analysis of gene clusters in Actinomycetales microorganisms. J Antibiot (Tokyo) . 2017 May;70 (5) :616-624.

Shipping Conditions

Room temperature

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

Virustomycin A

AM-2604 A is a macrolide.

CAS Number	84777-85-5
PubChem CID	6441152
IUPAC Name	[(2R,4R,5S,6R)-2-[(2S,3R,4S)-4-[(3S,4Z,6Z,9R,10S,11S,12R,13R,14Z,16E)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[(Z)-prop-1-enyl]oxan-4-yl] (E)-4-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-4-oxobut-2-enoate
Molecular Formula	C48H71NO14
Molecular Weight	886.1
XLogP	5.9
Topological Polar Surface Area	228
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	13
Heavy Atom Count	63
Formal Charge	0
Complexity	1830

SMILES

CC[C@H]1[C@H]([C@@H](C/C(=C\C=C/[C@@H](C(OC(=O)/C(=C\C(=C/[C@H]([C@H]1O)C)\C)/OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@H]([C@@H]([C@H](O2)/C=C\C)C)OC(=O)/C=C/C(=O)NC3=C(CCC3=O)O)O)O)OC)/C)C)O

InChI

InChI=1S/C48H71NO14/c1-12-15-36-30(7)39(61-41(53)21-20-40(52)49-42-34(50)18-19-35(42)51)25-48(58,63-36)32(9)45(56)31(8)46-37(59-10)17-14-16-26(3)22-28(5)43(54)33(13-2)44(55)29(6)23-27(4)24-38(60-11)47(57)62-46/h12,14-17,20-21,23-24,28-33,36-37,39,43-46,50,54-56,58H,13,18-19,22,25H2,1-11H3,(H,49,52)/b15-12-,17-14-,21-20+,26-16-,27-23-,38-24+/t28-,29-,30-,31+,32+,33+,36-,37+,39-,43+,44-,45-,46?,48-/m1/s1

InChIKey

YIKWIQAIKGWYCF-SRBICYAVSA-N

Chemical Structure

2D Structure

CAS: 84777-85-5

CID: 6441152

Formula: C48H71NO14

MW: 886.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	886.1
XLogP3	5.9
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	13
Exact Mass	885.48745594
Monoisotopic Mass	885.48745594
Topological Polar Surface Area	228 Å²
Heavy Atom Count	63
Formal Charge	0
Complexity	1830
Isotope Atom Count	0
Defined Atom Stereocenter Count	13
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	6
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
T26321-01	Virustomycin A

Virustomycin A

Chemical Information

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