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Walrycin B - 98%, high purity , CAS No.878419-78-4

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Walrycin B - 98%, high purity , CAS No.878419-78-4

Moligand™

≥98%

CAS#: 878419-78-4
Formula: C₁₄H₁₀F₃N₅O₂
Molecular Weight: 337.26
PubChem CID: 3164070

Item Number

W412232

Grouped product items
SKU	Size	Availability	Price
W412232-5mg	5mg	In stock	$205.90
W412232-25mg	25mg	In stock	$686.90
W412232-100mg	100mg	In stock	$2,059.90

Bacterial Inhibitors

View related series

CoV 3C-like (main) protease Inhibitor

Basic Description

Specifications & Purity	Moligand™, ≥98%
Biochemical and Physiological Mechanisms	Walrycin B is an antibacterial compound and a potent inhibitor of WalR targeting the WalR response regulator.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads
Grade	Moligand™
Product Description	Information Walrycin B Walrycin B is an antibacterial compound and a potent inhibitor of WalR targeting the WalR response regulator. Targets WalR

Product Properties

ALogP	2.173
Rotatable Bond	2

Associated Targets(Human)

TDP2 Tchem Tyrosyl-DNA phosphodiesterase 2 (1 Activities)

Discover Target: TDP2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HepG2 (196354 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Liver microsomes (16955 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP2 Tchem Tyrosyl-DNA phosphodiesterase 2 (864 Activities)

Discover Target: TDP2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

lipdh Dihydrolipoyl dehydrogenase (4 Activities)

Discover Target: lipdh

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

dlaT Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (54 Activities)

Discover Target: dlaT

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SARS-CoV-2 (38078 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Vero C1008 (1716 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Names and Identifiers

IUPAC Name	1,6-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione
INCHI	InChI=1S/C14H10F3N5O2/c1-21-12(23)9-11(19-13(21)24)22(2)20-10(18-9)7-3-5-8(6-4-7)14(15,16)17/h3-6H,1-2H3
InChi Key	XRVMPTWWKLKLPB-UHFFFAOYSA-N
Canonical SMILES	CN1C2=NC(=O)N(C(=O)C2=NC(=N1)C3=CC=C(C=C3)C(F)(F)F)C
Isomeric SMILES	CN1C2=NC(=O)N(C(=O)C2=NC(=N1)C3=CC=C(C=C3)C(F)(F)F)C
PubChem CID	3164070
Molecular Weight	337.26

Database links

PubChem CID	3164070
ChEMBL Ligand	CHEMBL1096283
BindingDB Ligand	50438912
CAS Registry No.	878419-78-4
Antibiotic DB	1438

Certificates

Certificate of Analysis(COA)

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To view the certificate results,please click on a Lot number.For Lot numbers from past orders,please use our order status section

3 results found

Lot Number	Certificate Type	Date	Item
H2205799	Certificate of Analysis	Jun 11, 2022	W412232
H2205800	Certificate of Analysis	Jun 11, 2022	W412232
H2205801	Certificate of Analysis	Jun 11, 2022	W412232

Chemical and Physical Properties

Solubility	Solubility (25°C) In vitro DMSO: 40 mg/mL (118.6 mM); Ethanol: 2 mg/mL (5.93 mM); Water: Insoluble;
DMSO(mg / mL) Max Solubility	40
DMSO(mM) Max Solubility	118.602858328886
Water(mg / mL) Max Solubility	＜1

Safety and Hazards(GHS)

Signal	Warning
Hazard Statements	H315:Causes skin irritation H335:May cause respiratory irritation H302:Harmful if swallowed H320:Causes eye irritation
Precautionary Statements	P264:Wash hands [and …] thoroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER/doctor/... IF you feel unwell.

References

1. Gotoh Y, Doi A, Furuta E, Dubrac S, Ishizaki Y, Okada M, Igarashi M, Misawa N, Yoshikawa H, Okajima T et al.. (2010) Novel antibacterial compounds specifically targeting the essential WalR response regulator.. J Antibiot, 63 (3): (127-34). [PMID:20111065]

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