DX600

Cat No.:V72992 Purity: ≥98%

COA Product Data Instructions for use SDS

DX600 is a selective ACE2-specific inhibitor (KD: 1.3 nM) that does not cross-react with ACE.

DX600 Chemical Structure CAS No.: 478188-26-0
Product category: ACE

This product is for research use only, not for human use. We do not sell to patients.

Size	Price	Stock	Qty
1mg
5mg
10mg
Other Sizes

1-708-310-1919 sales@invivochem.com

Official Supplier of:

Business Relationship with 5000+ Clients Globally
Major Universities, Research Institutions, Biotech & Pharma
Citations by Top Journals: Nature, Cell, Science, etc.

Top Publications Citing lnvivochem Products

Nature 2024 Dec 18.

Nature 2021, 597(7874):119-125.

Cell 2020,183:1202-1218.e25.

Science Adv 2022: 8, eabm9427.

Nat Neurosci 2024, 27:1468-1474.

Nat Metab 2024, 6: 1108-1127.

Cell Stem Cell 2024, 31:106-126.e13.

Nature 597, 119–125 (2021)

Cell Stem Cell 2020,26(6):845-861.e12.

Science Trans Med 2023,15(701):eadd7872.

STTT 2023,8(1):91.

Cell Reports 2023,42(4):112313

Science Trans Med 2023, 15: eadd7872.

Cancer Cell 2021,39(4):529-547.e7.

Cancer Discov 2022,12(4):1106-1127.

Immunity 2024,57:2651-2668.e12.

Immunity 2023,56(3):620-634.e11.

J Am Chem Soc 2022,144:21831-21836.

Cell 2020,183:1202-1218.e25.

Science Adv 2022:8,eabm9427.

Nature 2021,597(7874):119-125.

Cell 2020,183:1202-1218.e25.

PNAS Nexus 2022,1(3):pgac063.

ACS Nano 2023,17(10):9110-9125.

Biomaterial 2023 Sep16:302:122333.

Product Description
Bioactivity & Protocols
Physicochemical Properties
Solubility Data
Calculators

Product Description

DX600 is a selective ACE2-specific inhibitor (KD: 1.3 nM) that does not cross-react with ACE. DX600 exacerbates diabetes-induced cardiovascular dysfunction and increased cardiac and renal NOX activity.

Biological Activity I Assay Protocols (From Reference)

ln Vitro	DX600 (1 μM) has a pIC50 of 8.0 and reduces rhACE2 activity by 47%[4]. 42% of ACE2 activity in human mononuclear cells (MCNs) is inhibited by DX600 (10 μM) [4]. When LPS and osthole are present, DX600 (100 nM, 4 hours) inhibits the growth of NR 8383 cells and raises TNF-a and IL-6 levels in the supernatant [5].
ln Vivo	In diabetic rats treated with streptozotocin, DX600 (5 μg/kg/day, intraperitoneally, everyday for 4 weeks) TFA exacerbates the cardiovascular dysfunction caused by diabetes[2]. In a rat thrombosis model, DX600 (0.1 µmol/L/kg, intravenous administration) TFA enhanced thrombus weight by 30%[5].
Animal Protocol	Animal/Disease Models: STZ-treated diabetes rats[2] Doses: 5 μg/kg/day Route of Administration: ip, daily for 4 weeks Experimental Results: Increased cardiac and renal NOX activity.
References	[1]. Development of an enzymatic assay for the detection of neutralizing antibodies against therapeutic angiotensin-converting enzyme 2 (ACE2).J Immunol Methods. 2013 Mar 29;389(1-2):52-60. [2]. Characterization of Angiotensin-(1-7) effects on the cardiovascular system in an experimental model of type-1 diabetes. Pharmacol Res. 2012 Sep;66(3):269-75. [3]. Extrinsic stabilization of antiviral ACE2-Fc fusion proteins targeting SARS-CoV-2. Commun Biol. 2023 Apr 8;6(1):386. [4]. Angiotensin converting enzyme versus angiotensin converting enzyme-2 selectivity of MLN-4760 and DX600 in human and murine bone marrow-derived cells. Eur J Pharmacol. 2016 Mar 5;774:25-33. [5]. ACE2 activation promotes antithrombotic activity. Mol Med. 2010 May-Jun;16(5-6):210-5.

These protocols are for reference only. InvivoChem does not independently validate these methods.

Physicochemical Properties

Molecular Formula	C141H185N35O40S2
Molecular Weight	3074.32
Exact Mass	3187.292
CAS #	478188-26-0
Related CAS #	DX600 TFA
PubChem CID	146158982
Appearance	White to off-white solid powder
Hydrogen Bond Donor Count	41
Hydrogen Bond Acceptor Count	50
Rotatable Bond Count	63
Heavy Atom Count	225
Complexity	7360
Defined Atom Stereocenter Count	0
SMILES	C([C@H]1C(N[C@H](C(N[C@H](C(N[C@@H](CSSC[C@@H](C(N[C@H](C(N2CCC[C@@]2([H])C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N2CCC[C@@]2([H])C(N1)=O)=O)CC1C=CC(=CC=1)O)=O)CC1C=CC(=CC=1)O)=O)CCCNC(N)=N)=O)CC(C)C)=O)=O)CO)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)C)CC1C=CC(=CC=1)O)CC1NC=NC=1)C(=O)N[C@@H]([C@H](O)C)C(=O)N[C@@H](CC1C=CC(=CC=1)O)C(N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)NCC(=O)N)=O)=O)=O)CCCCN)=O)CC1=CNC2=CC=CC=C12)=O)C1=CNC2=CC=CC=C12
InChi Key	OXNRLFLIPDHJEQ-UHFFFAOYSA-N
InChi Code	InChI=1S/C141H185N35O40S2.C2HF3O2/c1-72(2)50-93-122(198)157-91(21-11-45-147-141(144)145)120(196)159-94(51-75-26-34-82(181)35-27-75)123(199)165-100(53-77-30-38-84(183)39-31-77)137(213)173-46-13-23-108(173)134(210)164-97(56-80-61-150-89-19-8-6-17-87(80)89)126(202)161-96(55-79-60-149-88-18-7-5-16-86(79)88)125(201)156-90(20-9-10-44-142)121(197)170-106(131(207)172-118(73(3)179)136(212)167-101(54-78-32-40-85(184)41-33-78)138(214)174-47-14-25-110(174)135(211)166-102(59-117(193)194)139(215)175-48-12-22-107(175)132(208)158-92(42-43-115(189)190)119(195)153-65-113(187)152-64-112(186)151-63-111(143)185)70-218-217-69-105(130(206)169-104(68-178)140(216)176-49-15-24-109(176)133(209)163-93)171-127(203)98(57-81-62-146-71-154-81)162-129(205)103(67-177)168-124(200)95(52-76-28-36-83(182)37-29-76)160-128(204)99(58-116(191)192)155-114(188)66-148-74(4)180;3-2(4,5)1(6)7/h5-8,16-19,26-41,60-62,71-73,90-110,118,149-150,177-179,181-184H,9-15,20-25,42-59,63-70,142H2,1-4H3,(H2,143,185)(H,146,154)(H,148,180)(H,151,186)(H,152,187)(H,153,195)(H,155,188)(H,156,201)(H,157,198)(H,158,208)(H,159,196)(H,160,204)(H,161,202)(H,162,205)(H,163,209)(H,164,210)(H,165,199)(H,166,211)(H,167,212)(H,168,200)(H,169,206)(H,170,197)(H,171,203)(H,172,207)(H,189,190)(H,191,192)(H,193,194)(H4,144,145,147);(H,6,7)
Chemical Name	4-[[1-[2-[[1-[2-[[2-[[24-[[2-[[2-[[2-[[2-[(2-acetamidoacetyl)amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-32-(4-aminobutyl)-9-(3-carbamimidamidopropyl)-21-(hydroxymethyl)-3,6-bis[(4-hydroxyphenyl)methyl]-35,38-bis(1H-indol-3-ylmethyl)-12-(2-methylpropyl)-2,5,8,11,14,20,23,31,34,37,40-undecaoxo-26,27-dithia-1,4,7,10,13,19,22,30,33,36,39-undecazatricyclo[39.3.0.015,19]tetratetracontane-29-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-5-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid;2,2,2-trifluoroacetic acid
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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Solubility Data

Solubility (In Vitro)	H2O: 50 mg/mL (16.26 mM)
Solubility (In Vivo)	Solubility in Formulation 1: 50 mg/mL (16.26 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication. (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	0.3253 mL	1.6264 mL	3.2528 mL
	5 mM	0.0651 mL	0.3253 mL	0.6506 mL
	10 mM	0.0325 mL	0.1626 mL	0.3253 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.

Calculator

Mass

Concentration

Volume

Molecular Weight*

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

Calculate the Mass of a compound required to prepare a solution of known volume and concentration
Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume

See Example

An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?

Enter 350.26 in the Molecular Weight (MW) box
Enter 10 in the Concentration box and choose the correct unit (mM)
Enter 5 in the Volume box and choose the correct unit (mL)
Click the “Calculate” button
The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Concentration (Start)

Volume (Start)

Concentration (End)

Volume (End)

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:

Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
Enter 25 into the Concentration (End) box and select the correct unit (mM)
Enter 25 into the Volume (End) box and choose the correct unit (mL)
Click the “Calculate” button
The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box

Molecular formula

Total molecular weight

g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4 c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:

To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.

Definitions of molecular mass, molecular weight, molar mass and molar weight:

Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration

Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
Click the “Calculate” button
The answer appears in the Volume (to add to vial) box

In vivo Formulation Calculator (Clear solution)

Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)

Dosage mg/kg

Average weight of animals g

Dosing volume per animal μL

Number of animals

Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)

% DMSO

% Tween 80

% ddH₂O

Calculation results

Working concentration： mg/mL；

Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.

Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH₂O，mix and clarify.

Note： (1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.