IR-780 Iodide | CAS# 207399-07-3 | NIF Dye

MedKoo Cat#: 564175 | Name: IR-780 Iodide

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Description:

WARNING: This product is for research use only, not for human or veterinary use.

IR-780 iodide is a near‐infrared fluorescent (NIF) dye for the exclusive characterization of human CSCs through the HIF‐1α/glycolysis dependent mitochondrial transporter ABCB10's activity.

Chemical Structure

IR-780 Iodide

CAS#207399-07-3

Theoretical Analysis

MedKoo Cat#: 564175

Name: IR-780 Iodide

CAS#: 207399-07-3

Chemical Formula: C36H44ClIN2

Exact Mass:

Molecular Weight: 667.12

Elemental Analysis: C, 64.82; H, 6.65; Cl, 5.31; I, 19.02; N, 4.20

Price and Availability

Size	Price	Availability	Quantity
500mg	USD 285.00	2 Weeks
1g	USD 500.00	2 Weeks

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Synonym

IR 780 iodide; IR780 iodide; IR-780 iodide

IUPAC/Chemical Name

2-[2-[2-Chloro-3-[(1,3-dihydro-3,3-dimethyl-1-propyl-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-propylindolium iodide

InChi Key

IRPKBYJYVJOQHQ-UHFFFAOYSA-M

InChi Code

InChI=1S/C36H44ClN2.HI/c1-7-24-38-30-18-11-9-16-28(30)35(3,4)32(38)22-20-26-14-13-15-27(34(26)37)21-23-33-36(5,6)29-17-10-12-19-31(29)39(33)25-8-2;/h9-12,16-23H,7-8,13-15,24-25H2,1-6H3;1H/q+1;/p-1

SMILES Code

CC1(C)C(/C=C/C2=C(Cl)/C(CCC2)=C/C=C3N(CCC)C4=C(C=CC=C4)C\3(C)C)=[N+](CCC)C5=C1C=CC=C5.[I-]

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in methanol

Shelf Life

>3 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.03.00

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Product Data

Product Data

Instruction

View handling instruction

Biological target:

A fluorescent probe for in vivo tumor cell imaging.

In vitro activity:

IR780 iodide was used as a pattern drug to verify the property and feasibility of rRBCs by constructing IR780@rRBC NPs with IR780@RBC NPs and free IR780 as controls. The results demonstrated the superiority of IR780@rRBC NPs in toxicity, stability, pharmacokinetics and pharmacodynamics compared with IR780@rRBC and free IR780. Reference: J Nanobiotechnology. 2021 Jul 18;19(1):213. https://pubmed.ncbi.nlm.nih.gov/34275480/

In vivo activity:

These results demonstrate that the IR780-TiS2/RV nanocomposite has an outstanding NIR-triggered anti-tumor efficacy and a low systemic toxicity. In addition, the biodistribution of the IR780-TiS2/RV was evaluated in vivo. As shown in Additional file 1: Figure S4, the nanoparticles were mostly entered into the liver system and maybe metabolized by the system. Reference: Nanoscale Res Lett. 2019 Jun 21;14(1):211. https://pubmed.ncbi.nlm.nih.gov/31227943/

	Solvent	mg/mL	mM
Solubility
	Chloroform	10.0	0.15

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 667.12 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

Formulation protocol:

1. Wu P, Jiang X, Yin S, Yang Y, Liu T, Wang K. Biomimetic recombinant of red blood cell membranes for improved photothermal therapy. J Nanobiotechnology. 2021 Jul 18;19(1):213. doi: 10.1186/s12951-021-00949-7. PMID: 34275480; PMCID: PMC8286575. 2. Choi J, Rustique E, Henry M, Guidetti M, Josserand V, Sancey L, Boutet J, Coll JL. Targeting tumors with cyclic RGD-conjugated lipid nanoparticles loaded with an IR780 NIR dye: In vitro and in vivo evaluation. Int J Pharm. 2017 Nov 5;532(2):677-685. doi: 10.1016/j.ijpharm.2017.03.007. Epub 2017 Mar 7. PMID: 28279737. 3. Xiang S, Zhang K, Yang G, Gao D, Zeng C, He M. Mitochondria-Targeted and Resveratrol-Loaded Dual-Function Titanium Disulfide Nanosheets for Photothermal-Triggered Tumor Chemotherapy. Nanoscale Res Lett. 2019 Jun 21;14(1):211. doi: 10.1186/s11671-019-3044-5. PMID: 31227943; PMCID: PMC6588667. 4. Song J, Zhang N, Zhang L, Yi H, Liu Y, Li Y, Li X, Wu M, Hao L, Yang Z, Wang Z. IR780-loaded folate-targeted nanoparticles for near-infrared fluorescence image-guided surgery and photothermal therapy in ovarian cancer. Int J Nanomedicine. 2019 Apr 18;14:2757-2772. doi: 10.2147/IJN.S203108. PMID: 31118609; PMCID: PMC6503636.

In vitro protocol:

In vivo protocol:

1. Xiang S, Zhang K, Yang G, Gao D, Zeng C, He M. Mitochondria-Targeted and Resveratrol-Loaded Dual-Function Titanium Disulfide Nanosheets for Photothermal-Triggered Tumor Chemotherapy. Nanoscale Res Lett. 2019 Jun 21;14(1):211. doi: 10.1186/s11671-019-3044-5. PMID: 31227943; PMCID: PMC6588667. 2. Song J, Zhang N, Zhang L, Yi H, Liu Y, Li Y, Li X, Wu M, Hao L, Yang Z, Wang Z. IR780-loaded folate-targeted nanoparticles for near-infrared fluorescence image-guided surgery and photothermal therapy in ovarian cancer. Int J Nanomedicine. 2019 Apr 18;14:2757-2772. doi: 10.2147/IJN.S203108. PMID: 31118609; PMCID: PMC6503636.

1: Li S, Zhou S, Li Y, Li X, Zhu J, Fan L, Yang S. Exceptionally High Payload of the IR780 Iodide on Folic Acid-Functionalized Graphene Quantum Dots for Targeted Photothermal Therapy. ACS Appl Mater Interfaces. 2017 Jul 12;9(27):22332-22341. doi: 10.1021/acsami.7b07267. Epub 2017 Jun 28. PubMed PMID: 28643511. 2: Zhan Y, Liu Y, Zu H, Guo Y, Wu S, Yang H, Liu Z, Lei B, Zhuang J, Zhang X, Huang D, Hu C. Phase-controlled synthesis of molybdenum oxide nanoparticles for surface enhanced Raman scattering and photothermal therapy. Nanoscale. 2018 Mar 29;10(13):5997-6004. doi: 10.1039/c8nr00413g. PubMed PMID: 29542776. 3: Nagy-Simon T, Potara M, Craciun AM, Licarete E, Astilean S. IR780-dye loaded gold nanoparticles as new near infrared activatable nanotheranostic agents for simultaneous photodynamic and photothermal therapy and intracellular tracking by surface enhanced resonant Raman scattering imaging. J Colloid Interface Sci. 2018 May 1;517:239-250. doi: 10.1016/j.jcis.2018.02.007. Epub 2018 Feb 3. PubMed PMID: 29428811.