1-Bromoheptadecafluorooctane - Moligand™,10mM in DMSO , CAS No.423-55-2

CAS: 423-55-2 Cat. No.: B423918 Molecular Weight: 498.96 Beilstein Registry Number: 2016022 EC Number: 207-028-4

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

D05439 | FS-4333 | SR-01000944517-1 | SR-01000944517 | HY-B1724 | Imagent (TN) | PERFLUBRON [USP-RS] | SCHEMBL33826 | V08CX01 | Heptadecafluoro-n-octyl Bromide | PERFLUBRON [ORANGE BOOK] | FT-0607546 | Long's compound | N-perfluorooctyl bromide | bromure

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

1-Bromoheptadecafluorooctane (perfluorooctyl bromide) is a perfluorocarbon. Poly(ethylene glycol)ylated polyester nanocapsules of perfluorooctyl bromide were surface-decorated with a RGD (arginine-glycine-aspartic acid) peptide, were used for tumor imaging. Nanocapsules of perfluorooctyl bromide have been developed as dual contrast agent for ultrasonography and Magnetic Resonance Imaging (MRI).

Oxygen carrier in emulsions used as blood substitutes.

Specifications

Synonyms

D05439 | FS-4333 | SR-01000944517-1 | SR-01000944517 | HY-B1724 | Imagent (TN) | PERFLUBRON [USP-RS] | SCHEMBL33826 | V08CX01 | Heptadecafluoro-n-octyl Bromide | PERFLUBRON [ORANGE BOOK] | FT-0607546 | Long's compound | N-perfluorooctyl bromide | bromure

Specifications & Purity

Moligand™, 10mM in DMSO

Storage

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

Names and Identifiers

• Canonical Smiles: C(C(C(C(C(F)(F)Br)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• IUPAC Name: 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane
• InChIKey: WTWWXOGTJWMJHI-UHFFFAOYSA-N
• INCHI: 1S/C8BrF17/c9-7(22,23)5(18,19)3(14,15)1(10,11)2(12,13)4(16,17)6(20,21)8(24,25)26
• Isomeric SMILES: C(C(C(C(C(F)(F)Br)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• WGK Germany: 3
• RTECS: RG8700000
• Molecular Weight: 498.96
• Beilstein: 2016022
• Reaxy-Rn: 2016022
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2016022&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Organofluorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Organofluorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organofluorides
• Alternative Parents: Organobromides Hydrocarbon derivatives Alkyl fluorides Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organofluoride - Organobromide - Alkyl halide - Alkyl fluoride - Alkyl bromide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organofluorides. These are compounds containing a chemical bond between a carbon atom and a fluorine atom.
• External Descriptors: fluoroalkane

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)

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: light sensitive
• Refractive Index: 1.305
• Boil Point(°C): 141°C
• Melt Point(°C): 6°C
• Molecular Weight: 498.960 g/mol
• XLogP3: 6.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 6
• Exact Mass: 497.891 Da
• Monoisotopic Mass: 497.891 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 527.000
• 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. Yupeng Cao, Xiaohan Zhou, Xiaoli Liu, Mei Yang, Wentao Liu, Dong Han.  (2023)  High-Sensitivity, Low-Field 19F-MRI Approach Using High Manganese Ferrite Concentrations.  ANALYTICAL CHEMISTRY,      [PMID:37403032] [10.1021/acs.analchem.3c00379]

2. Xu Xiaolin, Guan Wencai, Yu Xiaolei, Xu Guoxiong, Wang Chenglong.  (2023)  Non-interfacial self-assembly of synthetic protocells.  Biomaterials Research,  27  (1): (1-12).  [PMID:37400932] [10.1186/s40824-023-00402-w]

3. Liang Hong, Jianman Wang, Yi Zhou, Guofu Shang, Tao Guo, Hailong Tang, Jiangmin Li, Yali Luo, Xiangyu Zeng, Zhu Zeng, Zuquan Hu.  (2023)  Orthogonal Optimization, Characterization, and In Vitro Anticancer Activity Evaluation of a Hydrogen Peroxide-Responsive and Oxygen-Reserving Nanoemulsion for Hypoxic Tumor Photodynamic Therapy.  Cancers,  15  (5): (1576).  [PMID:36900370] [10.3390/cancers15051576]

4. Liyao Zhang, Peijie Huang, Shubin Huang, Tao Wang, Shufeng Chen, Zhihao Chen, Yi Zhou, Linghao Qin.  (2022)  Development of ligand modified erythrocyte coated polydopamine nanomedicine to codeliver chemotherapeutic agent and oxygen for chemo-photothermal synergistic cancer therapy.  INTERNATIONAL JOURNAL OF PHARMACEUTICS,      [PMID:36058410] [10.1016/j.ijpharm.2022.122156]

5. Zhang Dong, You Yuanyuan, Xu Yuan, Cheng Qingqing, Xiao Zeyu, Chen Tianfeng, Shi Changzheng, Luo Liangping.  (2022)  Facile synthesis of near-infrared responsive on-demand oxygen releasing nanoplatform for precise MRI-guided theranostics of hypoxia-induced tumor chemoresistance and metastasis in triple negative breast cancer.  JOURNAL OF NANOBIOTECHNOLOGY,  20  (1): (1-19).  [PMID:35246149] [10.1186/s12951-022-01294-z]

6. Qin Bing, Jiang Mengshi, Li Xiang, Shi Yingying, Zhang Junlei, Luo Zhenyu, Luo Lihua, Lu Yichao, Liu Xu, Wang Sijie, Du Yongzhong, Qiu Yunqing, Lou Yan, You Jian.  (2021)  Oxygen nanocarrier broke the hypoxia trap of solid tumors and rescued transfection efficiency for gene therapy.  JOURNAL OF NANOBIOTECHNOLOGY,  19  (1): (1-14).  [PMID:34922537] [10.1186/s12951-021-01144-4]

7. Xiaoxuan Mai, Yanzhou Chang, Yuanyuan You, Lizhen He, Tianfeng Chen.  (2020)  Designing intelligent nano-bomb with on-demand site-specific drug burst release to synergize with high-intensity focused ultrasound cancer ablation.  JOURNAL OF CONTROLLED RELEASE,      [PMID:33010331] [10.1016/j.jconrel.2020.09.051]

8. Zheng Wang, Jinsong Ding, Xiaoqian Ma, Shengjuan Luo.  (2018)  Selective ultrasound contrast enhancement in the tumor by nanocapsules with perfluorooctylbromide: effect of PLGA–PEG proportion.  RSC Advances,  8  (32): (17958-17966).  [PMID:35542111] [10.1039/C8RA01824C]

9. Shengjuan Luo, Jinsong Ding, Peiqi Wang, Zheng Wang, Xiaoqian Ma, Cejun Yang, Qi Liang, Pengfei Rong, Wei Wang.  (2018)  Carboxyl of Poly(D,L-lactide-co-glycolide) Nanoparticles of Perfluorooctyl Bromide for Ultrasonic Imaging of Tumor.  Contrast Media & Molecular Imaging,      [PMID:29568245] [10.1155/2018/2957459]

10. Minghui Sun, Muthu Murugananthan, Zhiming Zhou, Yan Shen, Yanrong Zhang, Xiaoguang Wang.  (2024)  Hydrophobic covalent organic frameworks utilized Fluorocarbon/Water system for efficient hydrogen peroxide photosynthesis.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.150245]

11. Xichun Qin, Yeqing Zhou, Yuzhuo Wang, Ziyao Wang, Yun Wang, Jiali Chen, Lidong Zhu, Xiaoyu Quan, Zhiwei Liu, Hao Zhang, Liqun Jiang, Hongyan Dong, Zhongming Zhang.  (2020)  Preparation and Characterization of Protein-loaded PFC Nanoemulsions for the Treatment of Heart Diseases by Pulmonary Administration.  EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES,      [PMID:33359617] [10.1016/j.ejps.2020.105690]

12. Fei Kong, Zhiqiang Zeng, Xiaorong Zhu, Qingqing Wu, Lu Zhou, Changwei Dou, Zhongbo Xie, Lidong Cao.  (2025)  Tumor microenvironment responsive polymer nano-immunomodulators for precise immunotherapy of hepatocellular carcinoma.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.163830]

13. Yuruo Zhang, Haoran Zhang, Lihua Xia, Yuqi Zhou, Yijun Han, Quanjie Lv, Linxuan Zhang, Yuhao Cai, Zeinab Marfavi, Ruihao Yang, Yongjie Wu, Chunyan Wang, Congli Yuan, Ke Tao.  (2026)  Enhancing Antibacterial Activity of Glabridin by an Ultrasound-Triggerable Nanoformulation.  Advanced Healthcare Materials,      [PMID:41735795] [10.1002/adhm.202505951]