NVOC cage-TMP-Halo is a cell-permeable (penetrable), light-activatable protein dimerization inducer. NVOC cage-TMP-Halo can quickly and reversibly control the localization of proteins in living cells and can be used for experimental exploration of dynamic cellular processes.

Physicochemical Properties

Molecular Formula	C40H56CLN7O13
Molecular Weight	878.364749908447
Exact Mass	877.362
CAS #	2137894-98-3
PubChem CID	85470616
Appearance	Off-white to light yellow solid powder
LogP	3.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	30
Heavy Atom Count	61
Complexity	1250
Defined Atom Stereocenter Count	0
SMILES	ClCCCCCCOCCOCCNC(CCC(NCCCOC1C(=CC(=CC=1OC)CC1=CN=C(NC(=O)OCC2C=C(C(=CC=2[N+](=O)[O-])OC)OC)N=C1N)OC)=O)=O
InChi Key	DUNVDVWPSITHRB-UHFFFAOYSA-N
InChi Code	InChI=1S/C40H56ClN7O13/c1-54-31-23-29(30(48(52)53)24-32(31)55-2)26-61-40(51)47-39-45-25-28(38(42)46-39)20-27-21-33(56-3)37(34(22-27)57-4)60-16-9-13-43-35(49)10-11-36(50)44-14-17-59-19-18-58-15-8-6-5-7-12-41/h21-25H,5-20,26H2,1-4H3,(H,43,49)(H,44,50)(H3,42,45,46,47,51)
Chemical Name	(4,5-dimethoxy-2-nitrophenyl)methyl N-[4-amino-5-[[4-[3-[[4-[2-[2-(6-chlorohexoxy)ethoxy]ethylamino]-4-oxobutanoyl]amino]propoxy]-3,5-dimethoxyphenyl]methyl]pyrimidin-2-yl]carbamate
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

ln Vitro	The capacity to precisely control protein distribution in HeLa cells spatially using NVOC cage-TMP-Halo (20μM, 15, 30, and 60 minutes) [1]. In HeLa cells expressing CENPB-GFP-Haloenzyme and mCherry-eDHFR, NVOC cage-TMP-Halo (20μM, 60 min) strongly recruits mCherry-eDHFR to centromeres at a rate of t1/2 of roughly 15 s[1].
References	[1]. Ballister ER, et al. Localized light-induced protein dimerization in living cells using a photocaged dimerizer. Nat Commun. 2014 Nov 17;5:5475.

Solubility Data

Solubility (In Vitro)

May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples

Solubility (In Vivo)

Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples. Injection Formulations (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] *Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Oral Formulations Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.1385 mL	5.6924 mL	11.3849 mL
	5 mM	0.2277 mL	1.1385 mL	2.2770 mL
	10 mM	0.1138 mL	0.5692 mL	1.1385 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.