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ML188 - 98%, high purity , CAS No.1417700-13-0

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ML188 - 98%, high purity , CAS No.1417700-13-0

COA

Grade & Purity:

≥98%

Cas Number: 1417700-13-0
Molecular Weight: 433.5
PubChem CID: 46897844

In stock

Item Number

M412547

Grouped product items
SKU	Size	Availability	Price
M412547-1mg	1mg	3	$69.90
M412547-5mg	5mg	3	$169.90
M412547-10mg	10mg	2	$274.90
M412547-25mg	25mg	1	$562.90
M412547-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$957.90

View related series

Anti-infection (2803) SARS-CoV (200) Virus (1811) Virus Protease (105)

Basic Description

Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	ML188 is a selective non-covalent SARS-CoV 3CLpro inhibitor with IC50 of 1.5 μM. ML188 has antiviral activity.
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.
Product Description	ML188, a first in class probe, is a selective non-covalent SARS-CoV 3CLpro inhibitor with an IC50 of 1.5 μM. Antiviral activity.Anti-infection SARS-CoV Virus Protease ML188

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Anilides
      - Level5 Aromatic anilides
        Level6 Furanilides
        Level7 2-furanilides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Anilides
Intermediate Tree Nodes	Aromatic anilides - Furanilides
Direct Parent	2-furanilides
Alternative Parents	Alpha amino acids and derivatives Phenylpropanes Furoic acid and derivatives 2-heteroaryl carboxamides Pyridines and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2-furanilide - Alpha-amino acid or derivatives - Phenylpropane - 2-heteroaryl carboxamide - Furoic acid or derivatives - Pyridine - Furan - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 2-furanilides. These are aromatic heterocyclic compounds contaning a furan ring that is substituted at the 2-position with an anilide.
External Descriptors	Not available
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)

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

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

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

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

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

Associated Targets(non-human)

Plasma (328 Activities)

Explore this target

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

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	N-[(1R)-2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
INCHI	InChI=1S/C26H31N3O3/c1-25(2,3)19-11-13-20(14-12-19)29(24(31)21-10-8-16-32-21)22(18-9-7-15-27-17-18)23(30)28-26(4,5)6/h7-17,22H,1-6H3,(H,28,30)/t22-/m1/s1
InChIKey	JXGIYKRRPGCLFV-JOCHJYFZSA-N
Smiles	CC(C)(C)C1=CC=C(C=C1)N(C(C2=CN=CC=C2)C(=O)NC(C)(C)C)C(=O)C3=CC=CO3
Isomeric SMILES	CC(C)(C)C1=CC=C(C=C1)N([C@H](C2=CN=CC=C2)C(=O)NC(C)(C)C)C(=O)C3=CC=CO3
Molecular Weight	433.5
Reaxy-Rn	23396124
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23396124&ln=

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

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

9 results found

Lot Number	Certificate Type	Date	Item
J2414817	Certificate of Analysis	Apr 13, 2024	M412547
B2426271	Certificate of Analysis	Jan 16, 2024	M412547
B2426386	Certificate of Analysis	Jan 16, 2024	M412547
B2426272	Certificate of Analysis	Jan 16, 2024	M412547
B2426274	Certificate of Analysis	Jan 16, 2024	M412547
B2426275	Certificate of Analysis	Jan 16, 2024	M412547
B2426372	Certificate of Analysis	Jan 16, 2024	M412547
B2426373	Certificate of Analysis	Jan 16, 2024	M412547
B2426273	Certificate of Analysis	Jan 16, 2024	M412547

Chemical and Physical Properties

Molecular Weight	433.500 g/mol
XLogP3	5.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	433.237 Da
Monoisotopic Mass	433.237 Da
Topological Polar Surface Area	75.400 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	644.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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