| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
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| ln Vitro |
HER2 antibodies including PAC Anti-HER2 (Endox-XIAP) significantly reduced the levels of estrogen receptor alpha (ERα) in HER2-expressing cells, with an IC50 of 132 ng/mL. PROTAC-antibody conjugate (PAC) molecules are made up of an antibody attached to a PROTAC through a linker (L1); the PROTAC is made up of a protein binding group, a linker ("L2"), and a ubiquitin E3 ligase binding group ("E3LB"). group ("PB"). The elements that comprise the PAC are explained in the sections that follow. These components are offered in order to create a PAC with optimal therapeutic index and effective efficacy. 1. Antibodies (Ab): While PACs containing antibodies against non-antigens reside on the cell surface, the antibody portion of PAC can target cells expressing the antigen, thereby delivering antigen-specific PACs to target cells intracellularly, usually by endocytosis. Pinocytosis of the PAC may still occur, but the identification of the PROTAC moiety may lead to less targeted intracellular transport of the PROTAC moiety. 2. Linker (L1): To create a PAC, one or more PROTAC moieties (D) can be linked to an antibody (Ab) by a "linker" (L1), which is a bifunctional or multifunctional moiety. L1 with reactive functional groups for covalent attachment to PROTAC and antibodies can be used in some embodiments to prepare PAC. 3. PROTAC(D) [1].
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| References |
| Molecular Formula |
C94H107N13O16
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|---|---|
| Molecular Weight |
1674.93290352821
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| Exact Mass |
1674.799
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| CAS # |
2158322-33-7
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| Related CAS # |
PROTAC ERα Degrader-1;2417369-94-7
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| PubChem CID |
132144829
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| Appearance |
White to off-white solid powder
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| LogP |
10.2
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| Hydrogen Bond Donor Count |
8
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| Hydrogen Bond Acceptor Count |
18
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| Rotatable Bond Count |
43
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| Heavy Atom Count |
123
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| Complexity |
3550
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| Defined Atom Stereocenter Count |
5
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| SMILES |
C(C1C=CC(C(=O)NCCOCCOCC(=O)N(C)CCOC2C=CC(C(C3C=CC(OCC4C=CC(NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CCCCCN5C(C=CC5=O)=O)=CC=4)=CC=3)=C(C3C=CC=CC=3)CC)=CC=2)=CC=1)(N1[C@H]([C@@H](C(=O)N(CC2=C(C=CC3C=CC=CC2=3)OC)C2=CC=C(C#N)C=C12)NC(=O)[C@H](C)NC)C)=O
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| InChi Key |
AAGUYPGVVXJDLD-GGHCKNFKSA-N
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| InChi Code |
InChI=1S/C94H107N13O16/c1-9-74(65-19-12-10-13-20-65)85(68-34-41-73(42-35-68)123-58-63-25-37-71(38-26-63)100-90(114)77(23-18-47-99-94(96)118)101-91(115)86(60(2)3)102-81(108)24-14-11-17-49-105-82(109)45-46-83(105)110)67-32-39-72(40-33-67)122-52-50-104(7)84(111)59-121-54-53-120-51-48-98-89(113)69-28-30-70(31-29-69)92(116)107-62(5)87(103-88(112)61(4)97-6)93(117)106(78-43-27-64(56-95)55-79(78)107)57-76-75-22-16-15-21-66(75)36-44-80(76)119-8/h10,12-13,15-16,19-22,25-46,55,60-62,77,86-87,97H,9,11,14,17-18,23-24,47-54,57-59H2,1-8H3,(H,98,113)(H,100,114)(H,101,115)(H,102,108)(H,103,112)(H3,96,99,118)/b85-74+/t61-,62-,77-,86-,87-/m0/s1
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| Chemical Name |
N-[2-[2-[2-[2-[4-[(Z)-1-[4-[[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl-methylamino]-2-oxoethoxy]ethoxy]ethyl]-4-[(3S,4S)-7-cyano-1-[(2-methoxynaphthalen-1-yl)methyl]-4-methyl-3-[[(2S)-2-(methylamino)propanoyl]amino]-2-oxo-3,4-dihydro-1,5-benzodiazepine-5-carbonyl]benzamide
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| HS Tariff Code |
2934.99.9001
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| 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 (e.g. under nitrogen), 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)
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| Solubility (In Vitro) |
DMSO : ~70 mg/mL (~41.79 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (1.49 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. Solubility in Formulation 2: ≥ 1.75 mg/mL (1.04 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 17.5 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 0.5970 mL | 2.9852 mL | 5.9704 mL | |
| 5 mM | 0.1194 mL | 0.5970 mL | 1.1941 mL | |
| 10 mM | 0.0597 mL | 0.2985 mL | 0.5970 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.
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.
(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.
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