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AST-1306 - 98%, high purity , CAS No.897383-62-9, Inhibitor of epidermal growth factor receptor;Inhibitor of erb-b2 receptor tyrosine kinase 2;Inhibitor of erb-b2 receptor tyrosine kinase 4

COA COA
In stock
Item Number
A127889
Grouped product items
SKU Size
Availability
 Price Qty
A127889-1mg
1mg
3
$157.90
A127889-5mg
5mg
3
$545.90
A127889-10mg
10mg
3
$954.90
A127889-25mg
25mg
2
$1,909.90
A127889-50mg
50mg
1
$2,585.90
A127889-100mg
100mg
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
$3,433.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet
View related series
EGFR (254) epidermal growth factor receptor Inhibitor (73) erb-b2 receptor tyrosine kinase 2 Inhibitor (28) erb-b2 receptor tyrosine kinase 4 Inhibitor (13) JAK/STAT Signaling (507) Protein Tyrosine Kinase/RTK (1314) Receptor Tyrosine Kinase (1260)

Basic Description

Synonyms ALL-3 | MANDELIC-2,3,4,5,6-D5 ACID | SB19364 | SR-01000076076-1 | XKB38362 | 4-hydroxy-3-methoxyphenylglycolic acid | AC-32040 | CHEBI:91467 | N-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl)acrylamide | n-(4-((3-chloro-4-((3-fluorophe
Specifications & Purity Moligand™, ≥98%
Biochemical and Physiological Mechanisms

AST-1306 functions as an irreversible inhibitor, most likely through covalent interaction with Cys797 and Cys805 in the catalytic domains of EGFR and ErbB2, respectively. Further studies showed that AST-1306 inactivated pathways downstrea

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.
Grade Moligand™
Action Type INHIBITOR
Mechanism of action Inhibitor of epidermal growth factor receptor;Inhibitor of erb-b2 receptor tyrosine kinase 2;Inhibitor of erb-b2 receptor tyrosine kinase 4

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Diazanaphthalenes
Subclass Benzodiazines
Intermediate Tree Nodes Quinazolines
Direct Parent Quinazolinamines
Alternative Parents Phenoxy compounds  Phenol ethers  Aniline and substituted anilines  N-arylamides  Alkyl aryl ethers  Aminopyrimidines and derivatives  Chlorobenzenes  Fluorobenzenes  Aryl chlorides  Aryl fluorides  Imidolactams  Acrylic acids and derivatives  Heteroaromatic compounds  Amino acids and derivatives  Secondary carboxylic acid amides  Azacyclic compounds  Secondary amines  Organic oxides  Carbonyl compounds  Organochlorides  Organofluorides  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Quinazolinamine - Phenoxy compound - Phenol ether - N-arylamide - Aniline or substituted anilines - Alkyl aryl ether - Fluorobenzene - Aminopyrimidine - Halobenzene - Chlorobenzene - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Pyrimidine - Benzenoid - Imidolactam - Acrylic acid or derivatives - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Ether - Carboxylic acid derivative - Secondary amine - Azacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.
External Descriptors Not available

Product Properties

ALogP 5.4

Associated Targets(Human)

ERBB4 Tclin Receptor tyrosine-protein kinase erbB-4 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
ERBB2 Tclin Receptor tyrosine-protein kinase erbB-2 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
EGFR Tclin Epidermal growth factor receptor (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
NCI-H1975 (4994 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
A549 (127892 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
A-431 (6446 Activities)
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)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
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-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]prop-2-enamide
INCHI InChI=1S/C24H18ClFN4O2/c1-2-23(31)29-17-6-8-21-19(11-17)24(28-14-27-21)30-18-7-9-22(20(25)12-18)32-13-15-4-3-5-16(26)10-15/h2-12,14H,1,13H2,(H,29,31)(H,27,28,30)
InChIKey MVZGYPSXNDCANY-UHFFFAOYSA-N
Smiles C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl
Isomeric SMILES C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl
Alternate CAS 897383-62-9
MeSH Entry Terms allitinib;AST 1306;AST-1306;AST1306;N-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)-6-quinazolinyl)acrylamide
Molecular Weight 448.88
Reaxy-Rn 14574003
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14574003&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.

6 results found

Lot Number Certificate Type Date Item
B2224212 Certificate of Analysis Dec 21, 2023 A127889
B2224234 Certificate of Analysis Dec 21, 2023 A127889
B2224199 Certificate of Analysis Dec 21, 2023 A127889
B2224202 Certificate of Analysis Dec 21, 2023 A127889
B2224213 Certificate of Analysis Dec 21, 2023 A127889
B2224200 Certificate of Analysis Dec 21, 2023 A127889

Chemical and Physical Properties

Solubility ≥22.45 mg/mL in DMSO; insoluble in H2O; insoluble in EtOH
Molecular Weight 448.900 g/mol
XLogP3 5.400
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 7
Exact Mass 448.11 Da
Monoisotopic Mass 448.11 Da
Topological Polar Surface Area 76.100 Ų
Heavy Atom Count 32
Formal Charge 0
Complexity 641.000
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 1

Documents & Articles

Cytokines and Inflammation
Categories: Technical articles
Tags:
Cytokines Inflammation

Solution Calculators

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