Fruquintinib - Moligand™, 10mM in DMSO , Vascular endothelial growth factor receptor inhibitor, CAS No.1194506-26-7, Vascular endothelial growth factor receptor inhibitor

CAS: 1194506-26-7 Cat. No.: F420858 Molecular Weight: 393.39 EC Number: 962-485-3

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

6-((6,7-dimethoxyquinazolin-4-yl)oxy)-N,2-dimethylbenzofuran-3-carboxamide | NSC801000 | NSC-801000 | C71641 | WHO 10348 | A898991 | UNII-49DXG3M5ZW | BALLNEJQLSTPIO-UHFFFAOYSA-N | Fruquintinib | Fruquintinib(HMPL-013) | B2693-470819 | Fruquintinib [USAN]

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Fruquintinib (HMPL-013) is a small molecule inhibitor with strong potency and high selectivity against VEGFR family. It inhibits VEGFR 1, 2, 3, with IC50 values of 33 nM, 35 nM and 0.5 nM, respectively and shows only weak inhibition of RET, FGFR-1 and c-kit kinases.

Specifications

Synonyms

6-((6, 7-dimethoxyquinazolin-4-yl)oxy)-N, 2-dimethylbenzofuran-3-carboxamide | NSC801000 | NSC-801000 | C71641 | WHO 10348 | A898991 | UNII-49DXG3M5ZW | BALLNEJQLSTPIO-UHFFFAOYSA-N | Fruquintinib | Fruquintinib(HMPL-013) | B2693-470819 | Fruquintinib [USAN]

Specifications & Purity

Moligand™, 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Vascular endothelial growth factor receptor inhibitor

Product Properties

• ALogP: 3.4

Names and Identifiers

• Canonical Smiles: CC1=C(C2=C(O1)C=C(C=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC)C(=O)NC
• IUPAC Name: 6-(6,7-dimethoxyquinazolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
• InChIKey: BALLNEJQLSTPIO-UHFFFAOYSA-N
• INCHI: 1S/C21H19N3O5/c1-11-19(20(25)22-2)13-6-5-12(7-16(13)28-11)29-21-14-8-17(26-3)18(27-4)9-15(14)23-10-24-21/h5-10H,1-4H3,(H,22,25)
• Isomeric SMILES: CC1=C(C2=C(O1)C=C(C=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC)C(=O)NC
• Molecular Weight: 393.39
• Reaxy-Rn: 19611659
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19611659&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylethers
• Alternative Parents: Quinazolines Benzofurans Furan-3-carboxylic acid and derivatives Anisoles Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diaryl ether - Quinazoline - Benzofuran - Furoic acid or derivatives - Furan-3-carboxylic acid or derivatives - Anisole - Phenol ether - Alkyl aryl ether - Benzenoid - Pyrimidine - Heteroaromatic compound - Furan - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
• External Descriptors: Not available

Data sources

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)

FLT4 Tclin Vascular endothelial growth factor receptor 3 (1 Activities)

Discover Target: FLT4

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

FLT1 Tclin Vascular endothelial growth factor receptor 1 (1 Activities)

Discover Target: FLT1

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

KDR Tclin Vascular endothelial growth factor receptor 2 (2 Activities)

Discover Target: KDR

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

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 393.400 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 393.132 Da
• Monoisotopic Mass: 393.132 Da
• Topological Polar Surface Area: 95.700 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 579.000
• 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

References

1. Boyu Fang, Shasha Jin, Wandi Du, Weimin Cai.  (2023)  Anlotinib and fruquintinib co-administrated with warfarin increases the risk of bleeding: Studied from pharmacokinetic and pharmacodynamic perspectives.  EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES,      [PMID:37364727] [10.1016/j.ejps.2023.106507]

2. Zhenyu Zhong, Yan Li, Zeyu Sun, Xiaodan Wu, Jiaqi Li, Shangtong Jiang, Yifan Wang, Jianglin Wang, Yingying Du, Shengmin Zhang.  (2024)  Hypoxia-triggered exosome-mimetics accelerate vascularized osteogenesis.  Materials Today,      [PMID:] [10.1016/j.mattod.2023.09.026]

3. Mengying Zhang, Zhonghong Wei, Bin Wei, Changjie Lai, Gangfan Zong, Enxiang Tao, Minmin Fan, Yehua Pan, Bingyan Zhou, Luping Shen, Jingjing Wu, Qingqing Wang, Ying Peng, Le Zhen, Yunhao Wu, Yin Lu, Guangji Wang, Fang Zhou, Yunlong Shan.  (2025)  Microbiota-derived urocanic acid triggered by tyrosine kinase inhibitors potentiates cancer immunotherapy efficacy.  Cell Host & Microbe,      [PMID:40441145] [10.1016/j.chom.2025.04.022]

4. Hui Wang, Haoyu Yu, Yan Yang, Mengying Fu, Lihua Geng, Jing Wang, Yang Yue, Quanbin Zhang, Ning Wu.  (2026)  Synergistic induction of immunogenic cell death and tumor microenvironment remodeling by biotinylated marine polysaccharide nanoparticles for enhanced colorectal cancer therapy.  CARBOHYDRATE POLYMERS,      [PMID:] [10.1016/j.carbpol.2026.125185]