Payload Information

General Information of This Payload
Payload ID
PAY0EJBOG
Name
IRDye 700DX
Synonyms
Irdye 700DX; Irdye 700dx NHS ester; C51A2YUX4N; UNII-C51A2YUX4N; 916821-46-0; Silicate(4-), (2,5-dioxo-1-pyrrolidinyl 6-(((3-((29H,31H-phthalocyanin-1-yl-kappaN29,kappaN30,kappaN31,kappaN32)oxy)propoxy)carbonyl)amino)hexanoato(2-))bis(N-(3-((hydroxy-kappaO)dimethylsilyl)propyl)-3-sulfo-N,N-bis(3-sulfopropyl)-1-propanamin; SILICATE(4-), (2,5-DIOXO-1-PYRROLIDINYL 6-(((3-((29H,31H-PHTHALOCYANIN-1-YL-.KAPPA.N29,.KAPPA.N30,.KAPPA.N31,.KAPPA.N32)OXY)PROPOXY)CARBONYL)AMINO)HEXANOATO(2-))BIS(N-(3-((HYDROXY-.KAPPA.O)DIMETHYLSILYL)PROPYL)-3-SULFO-N,N-BIS(3-SULFOPROPYL)-1-PROPANAMINIUMATO(4-))-, SODIUM (1:4), (OC-6-13)-
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Target(s) .
 Target Info 
Formula
C74H96N12Na4O27S6Si3
Isosmiles
C[Si](C)(CCC[N+](CCCS(=O)(=O)[O-])(CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-])O[Si]1(N2C3=C4C=CC=CC4=C2N=C5C6=C (C=CC=C6OCCCOC(=O)NCCCCCC(=O)ON7C(=O)CCC7=O)C(=N5)N=C8N1C(=NC9=NC(=N3)C1=CC=CC=C19)C1=CC=CC =C18)O[Si](C)(C)CCC[N+](CCCS(=O)(=O)[O-])(CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
PubChem CID
102004325
InChI
InChI=1S/C74H100N12O27S6Si3.4Na/c1-120(2,52-21-42-85(36-15-46-114(91,92)93,37-16-47-115(94,95)96)38-17-48-116(97,98)99)112-122(113-121(3,4)53-22-43-86(39-18-49-117(100,101)102,40-19-50-118(103,104)105)41-20-51-119(106,107)108)83-70-56-26-9-10-27-57(56)72(83)80-68-60-30-14-31-61(109-44-23-45-110-74(90)75-35-13-5-6-32-64(89)111-82-62(87)33-34-63(82)88)65(60)69(77-68)81-73-59-29-12-11-28-58(59)71(84(73)122)79-67-55-25-8-7-24-54(55)66(76-67)78-70;;;;/h7-12,14,24-31H,5-6,13,15-23,32-53H2,1-4H3,(H5-2,75,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108);;;;/q;4*+1/p-4
InChIKey
NTBCSBGVMJMABW-UHFFFAOYSA-J
IUPAC Name
tetrasodium;3-[3-[[38-[dimethyl-[3-[tris(3-sulfonatopropyl)azaniumyl]propyl]silyl]oxy-12-[3-[[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]carbamoyloxy]propoxy]-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11(16),12,14,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaen-38-yl]oxy-dimethylsilyl]propyl-bis(3-sulfonatopropyl)azaniumyl]propane-1-sulfonate
Pharmaceutical Properties
Molecule Weight
1954.2
Polar area
606
Complexity
4240
xlogp Value
.
Heavy Count
126
Rot Bonds
44
Hbond acc
29
Hbond Donor
1
The activity data of This Payload
Standard Type Value Units Cell line Disease Model Cell line ID Reference
Cell survival rate 83.4 %
U87EGFR-Luc cells
Glioblastoma
CVCL_0022 
[1]
Cell survival rate 85.2 %
K562 cells
Chronic myeloid leukemia
CVCL_0004 
[1]
Cell survival rate 86.7 %
SK-OV-3-Luc cells
Ovarian serous cystadenocarcinoma
CVCL_4Y20 
[2]
Each Antibody-drug Conjugate Related to This Payload
Full Information of The Activity Data of The ADC(s) Related to This Payload
Tra-IR700 [Clinical candidate]
 ADC Info 
Discovered Using Cell Line-derived Xenograft Model
Click To Hide/Show 2 Activity Data Related to This Level
Experiment 1 Reporting the Activity Date of This ADC [3]
Efficacy Data Tumor Growth Inhibition value (TGI) ≈ 54.50% (Day 7) Negative HER2 expression (HER2 -)
Method Description
Tra-IR700 (3.6 ug/g) or T-DM1-IR700 (3.6 ug/g) was administered intravenously to mice on Day 1 (with NIR light 6 days after tumor cell transplantation). The dose similar to that of T-DM1 administered to humans (3.6 mg/kg). The NIR-light was irradiated at 1 and 2 days after the drug administration.
In Vivo Model MDA-MB-468GFP CDX model
In Vitro Model Breast adenocarcinoma MDA-MB-468GFP cells CVCL_DH83
Experiment 2 Reporting the Activity Date of This ADC [3]
Efficacy Data Tumor Growth Inhibition value (TGI) ≈ 81.80% (Day 7) Negative HER2 expression (HER2 -)
Method Description
Tra-IR700 (3.6 ug/g) or T-DM1-IR700 (3.6 ug/g) was administered intravenously to mice on Day 1 (with NIR light 6 days after tumor cell transplantation). The dose similar to that of T-DM1 administered to humans (3.6 mg/kg). The NIR-light was irradiated at 1 and 2 days after the drug administration.
In Vivo Model MDA-MB-468GFP CDX model
In Vitro Model Breast adenocarcinoma MDA-MB-468GFP cells CVCL_DH83
CTLA4-IR700 [Investigative]
 ADC Info 
Discovered Using Patient-derived Xenograft Model
Click To Hide/Show 1 Activity Data Related to This Level
Experiment 1 Reporting the Activity Date of This ADC [4]
Efficacy Data Tumor Growth Inhibition value (TGI) ≈ 38.00% Positive CTLA4 expression (CTLA4 +++/++)
Method Description
Mice with tumors reaching approximately 50-100 mm3 in volume were used for the experiments. Mice were monitored each day and tumor volume (length x width2 x 0.5) was measured twice a week until the tumor volume reached 2,000 mm3.
In Vivo Model Oropharyngeal cancer PDX model (PDX: mEERL-hEGFR)
ARB102-IR700 [Investigative]
 ADC Info 
Discovered Using Cell Line-derived Xenograft Model
Click To Hide/Show 4 Activity Data Related to This Level
Experiment 1 Reporting the Activity Date of This ADC [5]
Efficacy Data Tumor Growth Inhibition value (TGI) ≈ 36.97% (Day 21) High CDH17 expression (CDH17 +++)
Method Description
The tumor-bearing mice were subjected to three cycles of PIT treatment, once per week.
In Vivo Model SNU-C1 CDX model
In Vitro Model Colon adenocarcinoma SNU-C1 cells CVCL_1708
Experiment 2 Reporting the Activity Date of This ADC [5]
Efficacy Data Tumor Growth Inhibition value (TGI) ≈ 37.92% (Day 21) High CDH17 expression (CDH17 +++)
Method Description
The tumor-bearing mice were subjected to three cycles of PIT treatment, once per week.
In Vivo Model LoVo CDX model
In Vitro Model Colon adenocarcinoma LoVo cells CVCL_0399
Experiment 3 Reporting the Activity Date of This ADC [5]
Efficacy Data Tumor Growth Inhibition value (TGI) ≈ 53.65% (Day 28) High CDH17 expression (CDH17 +++)
Method Description
The tumor-bearing mice were subjected to three cycles of PIT treatment, once per week.
In Vivo Model AsPC-1 CDX model
In Vitro Model Pancreatic ductal adenocarcinoma AsPC-1 cells CVCL_0152
Experiment 4 Reporting the Activity Date of This ADC [5]
Efficacy Data Tumor Growth Inhibition value (TGI) ≈ 58.37% (Day 21) High CDH17 expression (CDH17 +++)
Method Description
The tumor-bearing mice were subjected to three cycles of PIT treatment, once per week.
In Vivo Model AsPC-1 CDX model
In Vitro Model Pancreatic ductal adenocarcinoma AsPC-1 cells CVCL_0152
Revealed Based on the Cell Line Data
Click To Hide/Show 4 Activity Data Related to This Level
Experiment 1 Reporting the Activity Date of This ADC [5]
Efficacy Data Half Maximal Effective Concentration (EC50)
0.12 ug/mL
High CDH17 expression (CDH17 +++)
Method Description
GI cancer cells were treated with PIT and cell viability was measured by MTT assay to determine EC50. Data is presented as mean SEM (n=3).
In Vitro Model Colon adenocarcinoma LoVo cells CVCL_0399
Experiment 2 Reporting the Activity Date of This ADC [5]
Efficacy Data Half Maximal Effective Concentration (EC50)
49.00 ng/mL
High CDH17 expression (CDH17 +++)
Method Description
GI cancer cells were treated with PIT and cell viability was measured by MTT assay to determine EC50. Data is presented as mean SEM (n=3).
In Vitro Model Colon adenocarcinoma SW480 cells CVCL_0546
Experiment 3 Reporting the Activity Date of This ADC [5]
Efficacy Data Half Maximal Effective Concentration (EC50)
74.00 ng/mL
High CDH17 expression (CDH17 +++)
Method Description
GI cancer cells were treated with PIT and cell viability was measured by MTT assay to determine EC50. Data is presented as mean SEM (n=3).
In Vitro Model Colon adenocarcinoma SNU-C1 cells CVCL_1708
Experiment 4 Reporting the Activity Date of This ADC [5]
Efficacy Data Half Maximal Effective Concentration (EC50)
86.00 ng/mL
High CDH17 expression (CDH17 +++)
Method Description
GI cancer cells were treated with PIT and cell viability was measured by MTT assay to determine EC50. Data is presented as mean SEM (n=3).
In Vitro Model Pancreatic ductal adenocarcinoma AsPC-1 cells CVCL_0152
TROP2-IR700 [Investigative]
 ADC Info 
Discovered Using Cell Line-derived Xenograft Model
Click To Hide/Show 1 Activity Data Related to This Level
Experiment 1 Reporting the Activity Date of This ADC [6]
Efficacy Data Tumor Growth Inhibition value (TGI) ≈ 49.50% (Day 14) Positive TROP2 expression (TROP2+++/++)
Method Description
Five million of PK59 or TFK1 cells were injected subcutaneously into the right dorsum of the mice. Five million of 3T3/HER2 cells were injected subcutaneously into the left dorsum of the mice as negative control. The dose of ADC was 200 ug TROP2-IR700.
In Vivo Model PK59 CDX model
In Vitro Model Pancreatic carcinoma PK-59 cells CVCL_4897
AU-011 [Investigative]
 ADC Info 
Discovered Using Cell Line-derived Xenograft Model
Click To Hide/Show 1 Activity Data Related to This Level
Experiment 1 Reporting the Activity Date of This ADC [7]
Efficacy Data Tumor Growth Inhibition value (TGI) ≈ 55.55% (Day 25)
Method Description
C57BL/6-albino mice were subcutaneously inoculated with 5x105 MC38 on the right flank. Once the tumors had reached an average volume of approximately 125 mm3 as determined by measuring with a caliper, the mice were randomly divided into groups after which 100 g AU-011 in 100 uL was administered intravenously into the tail vein or intraperitoneally, or 30 g AU-011 in 30 L was administered intratumorally.

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In Vivo Model MC38 CDX model
In Vitro Model Mouse colon adenocarcinoma MC-38 cells CVCL_B288
ICAM-1-IR700 [Investigative]
 ADC Info 
Discovered Using Cell Line-derived Xenograft Model
Click To Hide/Show 2 Activity Data Related to This Level
Experiment 1 Reporting the Activity Date of This ADC [8]
Efficacy Data Tumor Growth Inhibition value (TGI) ≈ 63.22% (Day 28) High ICAM-1 expression (ICAM-1+++)
Method Description
Female homozygote athymic nude mice, 6-8 weeks old, MDA-MB-468-luc (4x106) or MDA-MB-231 (1x106) cells were inoculated into the right dorsum of mice. ICAM-1-IR700 (100 g) was injected 9 and 25days after cell inoculation, respectively (day 1). The mice were killed with CO2 when the tumor volume reached 2000 mm3.

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In Vitro Model Breast adenocarcinoma MDA-MB-231 cells CVCL_0062
Experiment 2 Reporting the Activity Date of This ADC [8]
Efficacy Data Tumor Growth Inhibition value (TGI) ≈ 76.40% (Day 25) High ICAM-1 expression (ICAM-1+++)
Method Description
Female homozygote athymic nude mice, 6-8 weeks old, MDA-MB-468-luc (4x106) or MDA-MB-231 (1x106) cells were inoculated into the right dorsum of mice. ICAM-1-IR700 (100 g) was injected 9 and 25days after cell inoculation, respectively (day 1). The mice were killed with CO2 when the tumor volume reached 2000 mm3.

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In Vitro Model Breast adenocarcinoma MDA-MB-468 Luc cells CVCL_0419
References
Ref 1 Effect of multiple cyclic RGD peptides on tumor accumulation and intratumoral distribution of IRDye 700DX-conjugated polymers. Sci Rep. 2018 May 25;8(1):8126.
Ref 2 Near infrared photoimmunotherapy in the treatment of disseminated peritoneal ovarian cancer. Mol Cancer Ther. 2015 Jan;14(1):141-50.
Ref 3 Near-infrared-induced drug release from antibody-drug double conjugates exerts a cytotoxic photo-bystander effect. Bioeng Transl Med. 2022 Aug 21;7(3):e10388. doi: 10.1002/btm2.10388. eCollection 2022 Sep.
Ref 4 Simultaneously Combined Cancer Cell- and CTLA4-Targeted NIR-PIT Causes a Synergistic Treatment Effect in Syngeneic Mouse Models. Mol Cancer Ther. 2021 Nov;20(11):2262-2273. doi: 10.1158/1535-7163.MCT-21-0470. Epub 2021 Sep 13.
Ref 5 Cadherin-17 Targeted Near-Infrared Photoimmunotherapy for Treatment of Gastrointestinal Cancer. Mol Pharm. 2020 Oct 5;17(10):3941-3951. doi: 10.1021/acs.molpharmaceut.0c00700. Epub 2020 Sep 24.
Ref 6 Photoimmunotherapy targeting biliary-pancreatic cancer with humanized anti-TROP2 antibody. Cancer Med. 2019 Dec;8(18):7781-7792. doi: 10.1002/cam4.2658. Epub 2019 Nov 1.
Ref 7 Immune checkpoint inhibition combined with targeted therapy using a novel virus-like drug conjugate induces complete responses in a murine model of local and distant tumors. Cancer Immunol Immunother. 2023 Jul;72(7):2405-2422. doi: 10.1007/s00262-023-03425-3. Epub 2023 Mar 30.
Ref 8 Intercellular adhesion molecule-1-targeted near-infrared photoimmunotherapy of triple-negative breast cancer. Cancer Sci. 2022 Sep;113(9):3180-3192.

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