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Alflutinib (AST2818) mesylate - 98%, high purity , CAS No.2130958-55-1

COA

Grade & Purity:

≥98%

Cas Number: 2130958-55-1
Molecular Weight: 664.7
PubChem CID: 134828257
PubChem SID: 504773194

In stock

Item Number

A413662

Grouped product items
SKU	Size	Availability	Price
A413662-5mg	5mg	3	$216.90
A413662-10mg	10mg	3	$325.90
A413662-25mg	25mg	3	$733.90
A413662-50mg	50mg	1	$924.90
A413662-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,360.90

EGFR/ErbB1 Selective Inhibitors | Activators

View related series

EGFR (254) JAK/STAT Signaling (507) Protein Tyrosine Kinase/RTK (1314) Receptor Tyrosine Kinase (1260)

Basic Description

Synonyms	C29H35F3N8O5S \| EX-A2864 \| 2130958-55-1 \| Furmonertinib mesylate \| ALFLUTINIB MESILATE \| AC-35567 \| Alflutinib mesylate (AST2818 \| Alflutinib mesylate \| FURMONERTINIB MESILATE \| Ivesa \| N-(2-((2-(Dimethylamino)ethyl)(methyl)amino)-5-((4-(1-methyl-1H-indol
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	Alflutinib (AST2818) mesylate is a third-generation epidermal growth factor receptor (EGFR) inhibitor that inhibits both EGFR-sensitive mutations and T790M mutations. Alflutinib (AST2818), primarily metabolized by CYP3A4, is also a potent CYP3A4 inducer w
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	Information Alflutinib (AST2818) mesylate is a third-generationepidermal growth factor receptor (EGFR)inhibitor that inhibits both EGFR-sensitive mutations and T790M mutations. Alflutinib (AST2818), primarily metabolized by CYP3A4, is also a potentCYP3A4inducer with EC50 of 0.25 μM. Targets EGFR ; CYP3A4 (Cell-free assay) ; 0.25 μM(EC50)

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass N-alkylindoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	N-alkylindoles
Intermediate Tree Nodes	Not available
Direct Parent	N-alkylindoles
Alternative Parents	Indoles N-arylamides Dialkylarylamines Aminopyrimidines and derivatives Aminopyridines and derivatives Alkyl aryl ethers N-methylpyrroles Imidolactams Benzenoids Sulfonyls Organosulfonic acids Methanesulfonates Heteroaromatic compounds Alkanesulfonic acids Acrylic acids and derivatives Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Secondary amines Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Not available
Substituents	N-alkylindole - Indole - Dialkylarylamine - N-arylamide - Aminopyrimidine - Aminopyridine - Alkyl aryl ether - Imidolactam - Benzenoid - Substituted pyrrole - Pyrimidine - Pyridine - N-methylpyrrole - Acrylic acid or derivatives - Heteroaromatic compound - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrole - Methanesulfonate - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Secondary amine - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as n-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 1-position.
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

Product Properties

ALogP	5.192
HBD Count	2
Rotatable Bond	12

Names and Identifiers

Pubchem Sid	504773194
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504773194
IUPAC Name	N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-6-(2,2,2-trifluoroethoxy)pyridin-3-yl]prop-2-enamide;methanesulfonic acid
INCHI	InChI=1S/C28H31F3N8O2.CH4O3S/c1-6-24(40)33-21-15-22(26(41-17-28(29,30)31)36-25(21)38(4)14-13-37(2)3)35-27-32-12-11-20(34-27)19-16-39(5)23-10-8-7-9-18(19)23;1-5(2,3)4/h6-12,15-16H,1,13-14,17H2,2-5H3,(H,33,40)(H,32,34,35);1H3,(H,2,3,4)
InChIKey	WDPGHXINXNBHAS-UHFFFAOYSA-N
Smiles	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(N=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OCC(F)(F)F.CS(=O)(=O)O
Isomeric SMILES	CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(N=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OCC(F)(F)F.CS(=O)(=O)O
PubChem CID	134828257
Molecular Weight	664.7

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

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

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
I2222675	Certificate of Analysis	Jun 21, 2022	A413662
I2222676	Certificate of Analysis	Jun 21, 2022	A413662
I2222570	Certificate of Analysis	Jun 21, 2022	A413662
I2222678	Certificate of Analysis	Jun 21, 2022	A413662
I2222583	Certificate of Analysis	Jun 21, 2022	A413662

Chemical and Physical Properties

Solubility	Solubility (25°C) In vitro DMSO: 20 mg/mL (30.08 mM); Water: Insoluble; Ethanol: Insoluble;
DMSO(mg / mL) Max Solubility	20
DMSO(mM) Max Solubility	30.08876184745
Water(mg / mL) Max Solubility	＜1
Molecular Weight	664.700 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	11
Exact Mass	664.24 Da
Monoisotopic Mass	664.24 Da
Topological Polar Surface Area	163.000 Å²
Heavy Atom Count	46
Formal Charge	0
Complexity	957.000
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	2

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