IR-825
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MedKoo CAT#: 530336

CAS#: 1558079-49-4

Description: IR-825 is a near-infrared dye (NIR). IR-825, after encapsulated into nanoparticles may be useful for cancer photothermal and photodynamic therapy. IR-825 nanoparticles showed pH-dependent fluorescence emission and excellent near-infrared (NIR) irradiation of cancer cells targeted in vitro to provide cytotoxicity. IR-825 nanoparticles showed efficient tumor homing together with rapid renal excretion behaviors, as revealed by MR imaging and confirmed by biodistribution measurement. Notably, when irradiated with an 808 nm laser, tumors on mice with IR-825 nanoparticle injection are completely eliminated without recurrence within 60 days, demonstrating the high efficacy of photothermal therapy.

Chemical Structure

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IR-825
CAS# 1558079-49-4
Instruction

Theoretical Analysis

MedKoo Cat#: 530336
Name: IR-825
CAS#: 1558079-49-4
Chemical Formula: C54H48BrClN2O4
Exact Mass: 0.00
Molecular Weight: 904.342
Elemental Analysis: C, 71.72; H, 5.35; Br, 8.84; Cl, 3.92; N, 3.10; O, 7.08

Price and Availability

Size Price Availability Quantity
5mg USD 250 Ready to ship
10mg USD 450 Ready to ship
25mg USD 850 Ready to ship
50mg USD 1250 Ready to ship
100mg USD 1950 Ready to ship
200mg USD 2950 Ready to ship
500mg USD 3750 2 weeks
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Synonym: IR-825; IR825; IR825.

IUPAC/Chemical Name: 3-(4-carboxybenzyl)-2-((E)-2-((E)-3-((Z)-2-(3-(4-carboxybenzyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)-2-chlorocyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium bromide

InChi Key: BAUXJOQQUWDIAO-UHFFFAOYSA-N

InChi Code: InChI=1S/C54H47ClN2O4.BrH/c1-53(2)46(56(32-34-16-20-40(21-17-34)51(58)59)44-28-24-36-10-5-7-14-42(36)48(44)53)30-26-38-12-9-13-39(50(38)55)27-31-47-54(3,4)49-43-15-8-6-11-37(43)25-29-45(49)57(47)33-35-18-22-41(23-19-35)52(60)61;/h5-8,10-11,14-31H,9,12-13,32-33H2,1-4H3,(H-,58,59,60,61);1H

SMILES Code: CC1(C)C(/C=C/C2=C(Cl)/C(CCC2)=C/C=C3C(C)(C4=C(C=CC5=CC=CC=C54)N/3CC6=CC=C(C(O)=O)C=C6)C)=[N+](CC7=CC=C(C(O)=O)C=C7)C8=C1C9=CC=CC=C9C=C8

Appearance: Black solid powder

Purity: >95% (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 DMSO

Shelf Life: >2 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: 2934.99.9001

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 904.34 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.

Recalculate based on batch purity %
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:
In vitro protocol:
In vivo protocol:

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1: Islamy Mazrad ZA, In I, Lee KD, Park SY. Rapid fluorometric bacteria detection assay and photothermal effect by fluorescent polymer of coated surfaces and aqueous state. Biosens Bioelectron. 2016 Oct 14. pii: S0956-5663(16)31034-X. doi: 10.1016/j.bios.2016.10.027. [Epub ahead of print] PubMed PMID: 27825519.

2: Liu X, Yang G, Zhang L, Liu Z, Cheng Z, Zhu X. Photosensitizer cross-linked nano-micelle platform for multimodal imaging guided synergistic photothermal/photodynamic therapy. Nanoscale. 2016 Aug 18;8(33):15323-39. doi: 10.1039/c6nr04835h. PubMed PMID: 27503666.

3: Zhang Y, Ang CY, Li M, Tan SY, Qu Q, Zhao Y. Polymeric Prodrug Grafted Hollow Mesoporous Silica Nanoparticles Encapsulating Near-Infrared Absorbing Dye for Potent Combined Photothermal-Chemotherapy. ACS Appl Mater Interfaces. 2016 Mar 23;8(11):6869-79. doi: 10.1021/acsami.6b00376. PubMed PMID: 26937591.

4: Yang Y, Liu J, Liang C, Feng L, Fu T, Dong Z, Chao Y, Li Y, Lu G, Chen M, Liu Z. Nanoscale Metal-Organic Particles with Rapid Clearance for Magnetic Resonance Imaging-Guided Photothermal Therapy. ACS Nano. 2016 Feb 23;10(2):2774-81. doi: 10.1021/acsnano.5b07882. PubMed PMID: 26799993.

5: Kim SH, Lee JE, Sharker SM, Jeong JH, In I, Park SY. In Vitro and In Vivo Tumor Targeted Photothermal Cancer Therapy Using Functionalized Graphene Nanoparticles. Biomacromolecules. 2015 Nov 9;16(11):3519-29. doi: 10.1021/acs.biomac.5b00944. PubMed PMID: 26451914.

6: Chen Q, Liu X, Chen J, Zeng J, Cheng Z, Liu Z. A Self-Assembled Albumin-Based Nanoprobe for In Vivo Ratiometric Photoacoustic pH Imaging. Adv Mater. 2015 Nov 18;27(43):6820-7. doi: 10.1002/adma.201503194. PubMed PMID: 26418312.

7: Song X, Zhang R, Liang C, Chen Q, Gong H, Liu Z. Nano-assemblies of J-aggregates based on a NIR dye as a multifunctional drug carrier for combination cancer therapy. Biomaterials. 2015 Jul;57:84-92. doi: 10.1016/j.biomaterials.2015.04.001. PubMed PMID: 25913253.

8: Chen Q, Liang C, Wang X, He J, Li Y, Liu Z. An albumin-based theranostic nano-agent for dual-modal imaging guided photothermal therapy to inhibit lymphatic metastasis of cancer post surgery. Biomaterials. 2014 Nov;35(34):9355-62. doi: 10.1016/j.biomaterials.2014.07.062. PubMed PMID: 25132606.

9: Song X, Gong H, Liu T, Cheng L, Wang C, Sun X, Liang C, Liu Z. J-aggregates of organic dye molecules complexed with iron oxide nanoparticles for imaging-guided photothermal therapy under 915-nm light. Small. 2014 Nov 12;10(21):4362-70. doi: 10.1002/smll.201401025. PubMed PMID: 24976309.

10: Chen Q, Wang C, Zhan Z, He W, Cheng Z, Li Y, Liu Z. Near-infrared dye bound albumin with separated imaging and therapy wavelength channels for imaging-guided photothermal therapy. Biomaterials. 2014 Sep;35(28):8206-14. doi: 10.1016/j.biomaterials.2014.06.013. PubMed PMID: 24957292.

11: Chen Q, Wang C, Cheng L, He W, Cheng Z, Liu Z. Protein modified upconversion nanoparticles for imaging-guided combined photothermal and photodynamic therapy. Biomaterials. 2014 Mar;35(9):2915-23. doi: 10.1016/j.biomaterials.2013.12.046. PubMed PMID: 24412081.

12: Yedidi RS, Maeda K, Fyvie WS, Steffey M, Davis DA, Palmer I, Aoki M, Kaufman JD, Stahl SJ, Garimella H, Das D, Wingfield PT, Ghosh AK, Mitsuya H. P2' benzene carboxylic acid moiety is associated with decrease in cellular uptake: evaluation of novel nonpeptidic HIV-1 protease inhibitors containing P2 bis-tetrahydrofuran moiety. Antimicrob Agents Chemother. 2013 Oct;57(10):4920-7. doi: 10.1128/AAC.00868-13. PubMed PMID: 23877703; PubMed Central PMCID: PMC3811474.