| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
| Targets |
SG3199-Val-Ala-PAB is a conjugate of a drug-linker for antibody-drug conjugates (ADCs). It contains the SG3199 PBD dimer payload linked to a Val-Ala cleavable dipeptide linker and a PAB (para-aminobenzyl) self-immolative spacer. The Val-Ala linker is selectively cleaved by cathepsin B in the tumor microenvironment, releasing the active PBD dimer.
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|---|---|
| ln Vitro |
SG3199-Val-Ala-PAB is a step in the production of Tesirine, a pyrrolobenzodiazepine dimer payload antibody-drug conjugate[1].
In vitro, SG3199-Val-Ala-PAB serves as the cytotoxic payload component of Tesirine. PBD dimers are highly potent DNA-crosslinking agents that form covalent adducts with guanine residues in the DNA minor groove, leading to cell cycle arrest and apoptosis. The compound exhibits potent cytotoxicity against cancer cell lines. |
| ln Vivo |
In vivo, Tesirine (which contains the SG3199-Val-Ala-PAB moiety) is used in ADC research for various cancers. The ADC is designed to deliver the PBD dimer payload specifically to tumor cells expressing the target antigen, thereby minimizing systemic toxicity while maximizing antitumor efficacy.
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| Enzyme Assay |
Receptor/enzyme assays for SG3199-Val-Ala-PAB typically involve assessing the cleavage of the Val-Ala linker by cathepsin B. The release of the active PBD dimer is monitored by HPLC or mass spectrometry. Binding studies may also be performed to evaluate the interaction of the ADC with target antigens.
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| Cell Assay |
Cellular assays for SG3199-Val-Ala-PAB and Tesirine typically use cancer cell lines expressing the target antigen. Cytotoxicity is measured using standard cell viability assays such as MTT or CellTiter-Glo. Internalization and payload release are assessed by confocal microscopy or flow cytometry.
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| Animal Protocol |
In vivo studies with Tesirine (containing SG3199-Val-Ala-PAB) are conducted in mouse xenograft models of various cancers. The ADC is administered via intravenous injection, and tumor growth inhibition is monitored over time. Pharmacodynamic markers such as DNA damage and apoptosis are assessed in tumor tissues.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of SG3199-Val-Ala-PAB are studied as part of Tesirine ADC characterization. The Val-Ala-PAB linker is designed for stability in circulation and selective cleavage in the tumor microenvironment. ADCs generally have longer half-lives than small molecules due to the antibody component.
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| Toxicity/Toxicokinetics |
Toxicity data for SG3199-Val-Ala-PAB are associated with Tesirine ADCs. PBD dimers are highly potent cytotoxins, and toxicity is primarily related to off-target effects and payload release in non-target tissues. Myelosuppression and hepatotoxicity are potential concerns. Standard safety precautions apply.
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| References | |
| Additional Infomation |
SG3199-Val-Ala-PAB is a research-use compound and is not approved for therapeutic applications. It is an intermediate in the synthesis of Tesirine, which has been studied in clinical trials for various cancers. The compound is categorized as a drug-linker conjugate for ADCs. References include studies on the design and synthesis of Tesirine.
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| Molecular Formula |
C49H59N7O11
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|---|---|
| Molecular Weight |
922.03
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| Exact Mass |
921.427
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| CAS # |
1595275-61-8
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| PubChem CID |
118016877
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| Appearance |
White to off-white solid powder
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| LogP |
4
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
13
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| Rotatable Bond Count |
18
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| Heavy Atom Count |
67
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| Complexity |
1870
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| Defined Atom Stereocenter Count |
5
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| SMILES |
C(N)(=O)[C@H](C)N(C(=O)[C@H](C(C)C)N)C1=CC=C(COC(N2C3=CC(OCCCCCOC4C=C5N=C[C@]6([H])CC(C)=CN6C(=O)C5=CC=4OC)=C(OC)C=C3C(=O)N3C=C(C)C[C@@]3([H])[C@@H]2O)=O)C=C1
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| InChi Key |
UTSDPVVCKWJDSI-XSNNZHSXSA-N
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| InChi Code |
InChI=1S/C49H59N7O11/c1-27(2)43(50)45(58)52-30(5)44(57)53-32-13-11-31(12-14-32)26-67-49(62)56-37-22-42(40(64-7)20-35(37)47(60)55-25-29(4)18-38(55)48(56)61)66-16-10-8-9-15-65-41-21-36-34(19-39(41)63-6)46(59)54-24-28(3)17-33(54)23-51-36/h11-14,19-25,27,30,33,38,43,48,61H,8-10,15-18,26,50H2,1-7H3,(H,52,58)(H,53,57)/t30-,33-,38-,43-,48-/m0/s1
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| Chemical Name |
[4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methyl (6S,6aS)-3-[5-[[(6aS)-2-methoxy-8-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-6-hydroxy-2-methoxy-8-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate
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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: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). 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 : 130 mg/mL (140.99 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 3.25 mg/mL (3.52 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (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 32.5 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 3.25 mg/mL (3.52 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 32.5 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 | 1.0846 mL | 5.4228 mL | 10.8456 mL | |
| 5 mM | 0.2169 mL | 1.0846 mL | 2.1691 mL | |
| 10 mM | 0.1085 mL | 0.5423 mL | 1.0846 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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